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

Systemtic Name: N-[1-[methyl-[(3-nitrophenyl)methyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[1-[methyl-[(3-nitrophenyl)methyl]carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[1-[methyl-[(3-nitrophenyl)methyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[1-[methyl-[(3-nitrophenyl)methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[1-[methyl-(3-nitrobenzyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c1-22(13-14-5-3-7-16(11-14)23(27)28)20(26)18(9-10-31-2)21-19(25)15-6-4-8-17(12-15)24(29)30/h3-8,11-12,18H,9-10,13H2,1-2H3,(H,21,25)