methyl 2-[[phenyl-(phenylmethyl)carbamothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[phenyl-(phenylmethyl)carbamothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[benzyl(phenyl)carbamothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[benzyl(phenyl)carbamothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[benzyl(phenyl)thiocarbamoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H24N2O2S2 MolecularWeight: 436.58956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O2S2/c1-28-23(27)21-19-14-8-9-15-20(19)30-22(21)25-24(29)26(18-12-6-3-7-13-18)16-17-10-4-2-5-11-17/h2-7,10-13H,8-9,14-16H2,1H3,(H,25,29)