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

Systemtic Name: N-[(2S)-3-(3-bromophenyl)sulfanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(3-bromophenyl)sulfanylmethyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide CAS Name: N-[(2S)-3-[(3-bromophenyl)thio]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(3-bromophenyl)sulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(3-bromophenyl)thio]methyl]-2-keto-2-(4-phenylpiperazino)ethyl]acetamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O2S/c1-16(26)23-20(15-28-19-9-5-6-17(22)14-19)21(27)25-12-10-24(11-13-25)18-7-3-2-4-8-18/h2-9,14,20H,10-13,15H2,1H3,(H,23,26)/t20-/m1/s1