methyl 2-(azepan-1-ylcarbothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(azepan-1-ylcarbothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(azepane-1-carbothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-azepanyl(sulfanylidene)methyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(azepane-1-carbothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(azepane-1-carbothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H24N2O2S2 MolecularWeight: 340.50396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCCCCC2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCCCCC2)C

InChI

InChI=1S/C16H24N2O2S2/c1-4-12-11(2)22-14(13(12)15(19)20-3)17-16(21)18-9-7-5-6-8-10-18/h4-10H2,1-3H3,(H,17,21)