4-chloranyl-N-[(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-3-methylsulfanyl-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-[4-(3-methylphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-[4-(3-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-3-(methylthio)-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]-3-nitro-benzamide Formula: C23H27ClN4O4S MolecularWeight: 491.00288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O4S/c1-16-4-3-5-18(14-16)26-9-11-27(12-10-26)23(30)20(8-13-33-2)25-22(29)17-6-7-19(24)21(15-17)28(31)32/h3-7,14-15,20H,8-13H2,1-2H3,(H,25,29)/t20-/m0/s1