AC1M3F95

methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate

Also Known As: methyl 5-(diethylcarbamoyl)-4-methyl-2-({[2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonyl)hydrazinyl]carbonothioyl}amino)thiophene-3-carboxylate|methyl 5-(diethylcarbamoyl)-4-methyl-2-(2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)hydrazinecarbothioamido)thiophene-3-carboxylate|methyl 5-(diethylcarbamoyl)-4-methyl-2-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamothioylamino]thiophene-3-carboxylate|methyl 5-(N,N-diethylcarbamoyl)-4-methyl-2-({[(4,5,6,7,8-pentahydrocyclohepta[ 2,1-d]thiophen-2-ylcarbonylamino)amino]thioxomethyl}amino)thiophene-3-carboxyl ate

Molecular Formula	C23H30N4O4S3
Molecular Weight	522.14294 g/mol
LogP	4.28692
Topological Polar Surface Area	99.77 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	522.14294
Monoisotopic Mass	522.14294
Heavy Atoms	34
Complexity	1064.8993

Chemical Identifiers

CAS Number	708236-33-3
SMILES	CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C2=CC3=C(S2)CCCCC3)C(=O)OC)C