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

Systemtic Name: 2-chloranyl-N-[4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 2-chloro-N-[4-(methylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[4-methylsulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-[4-(4-nitrophenyl)piperazine-1-carbonyl]propyl]benzamide Formula: C22H25ClN4O4S MolecularWeight: 476.9763

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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=C3Cl

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN4O4S/c1-32-15-10-20(24-21(28)18-4-2-3-5-19(18)23)22(29)26-13-11-25(12-14-26)16-6-8-17(9-7-16)27(30)31/h2-9,20H,10-15H2,1H3,(H,24,28)