[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3S/c32-27(22-34-28(33)15-20-35-26-9-5-2-6-10-26)29-24-11-13-25(14-12-24)31-18-16-30(17-19-31)21-23-7-3-1-4-8-23/h1-14H,15-22H2,(H,29,32)