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

Systemtic Name: N-[(2R)-3-(3-bromophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1R)-1-[(3-bromophenyl)sulfanylmethyl]-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]acetamide CAS Name: N-[(2R)-3-[(3-bromophenyl)thio]-1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2R)-3-(3-bromophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1R)-1-[[(3-bromophenyl)thio]methyl]-2-keto-2-(4-methylpiperazino)ethyl]acetamide Formula: C16H22BrN3O2S MolecularWeight: 400.33378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O2S/c1-12(21)18-15(11-23-14-5-3-4-13(17)10-14)16(22)20-8-6-19(2)7-9-20/h3-5,10,15H,6-9,11H2,1-2H3,(H,18,21)/t15-/m0/s1