2-[1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-1-methyl-ethyl]thio]-N-(p-tolyl)acetamide Formula: C22H25ClN4O4S MolecularWeight: 476.9763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O4S/c1-15-3-6-18(7-4-15)24-21(28)14-32-16(2)22(29)26-11-9-25(10-12-26)19-8-5-17(23)13-20(19)27(30)31/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,28)