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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O4S/c1-33-14-9-20(25-22(29)18-7-8-19(24)21(15-18)28(31)32)23(30)27-12-10-26(11-13-27)16-17-5-3-2-4-6-17/h2-8,15,20H,9-14,16H2,1H3,(H,25,29)