methyl 5-(phenylmethyl)-2-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[[phenyl-(phenylmethyl)carbamothioyl]amino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[benzyl(phenyl)carbamothioyl]amino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(N-(phenylmethyl)anilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[benzyl(phenyl)carbamothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[benzyl(phenyl)thiocarbamoyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C27H24N2O2S2 MolecularWeight: 472.62166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O2S2/c1-31-26(30)24-18-23(17-20-11-5-2-6-12-20)33-25(24)28-27(32)29(22-15-9-4-10-16-22)19-21-13-7-3-8-14-21/h2-16,18H,17,19H2,1H3,(H,28,32)