methyl 2-[2-[bis(phenylmethyl)amino]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[bis(phenylmethyl)amino]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(dibenzylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[bis(phenylmethyl)amino]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(dibenzylamino)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(dibenzylamino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O3S/c1-21-13-15-24(16-14-21)25-20-35-28(27(25)29(33)34-2)30-26(32)19-31(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-16,20H,17-19H2,1-2H3,(H,30,32)