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

Systemtic Name: methyl 2-[bis(phenylmethyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dibenzylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dibenzylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(dibenzylthiocarbamoylamino)-5-phenyl-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)C2=CC=CC=C2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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