methyl 2-[(diphenylmethyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(diphenylmethyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 2-(benzhydrylcarbamothioylamino)-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzhydrylcarbamothioylamino)-5-benzylthiophene-3-carboxylate Traditional Name: 2-(benzhydrylthiocarbamoylamino)-5-benzyl-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)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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