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

Systemtic Name: N-[(2S)-3-(3-chloranyl-4-methyl-phenyl)sulfanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(3-chloro-4-methyl-phenyl)sulfanylmethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide CAS Name: N-[(2S)-3-[(3-chloro-4-methylphenyl)thio]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(3-chloro-4-methyl-phenyl)thio]methyl]-2-keto-2-(4-phenylpiperazino)ethyl]acetamide Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(C(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC[C@H](C(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C)Cl

InChI

InChI=1S/C22H26ClN3O2S/c1-16-8-9-19(14-20(16)23)29-15-21(24-17(2)27)22(28)26-12-10-25(11-13-26)18-6-4-3-5-7-18/h3-9,14,21H,10-13,15H2,1-2H3,(H,24,27)/t21-/m1/s1