[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]propionic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4S/c1-18-9-11-21(12-10-18)26-23(29)17-33-20(3)25(31)32-19(2)24(30)28-15-13-27(14-16-28)22-7-5-4-6-8-22/h4-12,19-20H,13-17H2,1-3H3,(H,26,29)