N-[(2S)-3-(4-butylphenyl)sulfanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-3-(4-butylphenyl)sulfanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(4-butylphenyl)sulfanylmethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide CAS Name: N-[(2S)-3-[(4-butylphenyl)thio]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(4-butylphenyl)sulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(4-butylphenyl)thio]methyl]-2-keto-2-(4-phenylpiperazino)ethyl]acetamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C25H33N3O2S/c1-3-4-8-21-11-13-23(14-12-21)31-19-24(26-20(2)29)25(30)28-17-15-27(16-18-28)22-9-6-5-7-10-22/h5-7,9-14,24H,3-4,8,15-19H2,1-2H3,(H,26,29)/t24-/m1/s1