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

Systemtic Name: methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[2-(methylthio)anilino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-methylsulfanylphenyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(methylthio)phenyl]thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O2S3 MolecularWeight: 406.58518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C19H22N2O2S3/c1-23-18(22)16-12-8-4-3-5-10-14(12)26-17(16)21-19(24)20-13-9-6-7-11-15(13)25-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H2,20,21,24)