AC1LXJMX

methyl 2-(thiophene-2-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Also Known As: methyl 2-(thiophene-2-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-(3-(thiophene-2-carbonyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate|methyl 2-{[(thiophen-2-ylcarbonyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Molecular Formula	C18H20N2O3S3
Molecular Weight	408.0636 g/mol
LogP	4.382
Topological Polar Surface Area	67.43 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	408.0636
Monoisotopic Mass	408.0636
Heavy Atoms	26
Complexity	812.013

Chemical Identifiers

CAS Number	693236-32-7
SMILES	COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(=O)C3=CC=CS3