3-methyl-N-[4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 3-methyl-N-[3-methylsulfanyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 3-methyl-N-[4-(methylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzamide IUPAC Name: 3-methyl-N-[4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 3-methyl-N-[3-(methylthio)-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4S/c1-17-4-3-5-18(16-17)22(28)24-21(10-15-32-2)23(29)26-13-11-25(12-14-26)19-6-8-20(9-7-19)27(30)31/h3-9,16,21H,10-15H2,1-2H3,(H,24,28)