[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S/c1-18-8-10-20(11-9-18)22-12-17-31-23(22)25(29)30-19(2)24(28)27-15-13-26(14-16-27)21-6-4-3-5-7-21/h3-12,17,19H,13-16H2,1-2H3