[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic 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-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C27H25N3O3S/c1-20(26(31)30-17-15-29(16-18-30)22-10-3-2-4-11-22)33-27(32)23-12-6-8-14-25(23)34-24-13-7-5-9-21(24)19-28/h2-14,20H,15-18H2,1H3