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

Systemtic Name: N-[(2S)-3-(3-bromophenyl)sulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-1-[(3-bromophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-3-[(3-bromophenyl)thio]-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(3-bromophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(4-benzylpiperazino)-1-[[(3-bromophenyl)thio]methyl]-2-keto-ethyl]acetamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC(=CC=C1)Br)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC(=CC=C1)Br)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O2S/c1-17(27)24-21(16-29-20-9-5-8-19(23)14-20)22(28)26-12-10-25(11-13-26)15-18-6-3-2-4-7-18/h2-9,14,21H,10-13,15-16H2,1H3,(H,24,27)/t21-/m1/s1