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

Systemtic Name: methyl 2-(pyridin-4-ylcarbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(pyridine-4-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[[[oxo(pyridin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(pyridine-4-carbonylcarbamothioylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-(isonicotinoylthiocarbamoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(=O)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C19H21N3O3S2/c1-25-18(24)15-13-6-4-2-3-5-7-14(13)27-17(15)22-19(26)21-16(23)12-8-10-20-11-9-12/h8-11H,2-7H2,1H3,(H2,21,22,23,26)