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

Systemtic Name: N-[4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[3-methylsulfanyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]-3-nitro-benzamide CAS Name: N-[4-(methylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[3-(methylthio)-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]-3-nitro-benzamide Formula: C22H25N5O6S MolecularWeight: 487.5288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O6S/c1-34-14-9-20(23-21(28)16-3-2-4-19(15-16)27(32)33)22(29)25-12-10-24(11-13-25)17-5-7-18(8-6-17)26(30)31/h2-8,15,20H,9-14H2,1H3,(H,23,28)