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

Systemtic Name: 3-methyl-N-[4-methylsulfanyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 3-methyl-N-[3-methylsulfanyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]benzamide CAS Name: 3-methyl-N-[4-(methylthio)-1-[[(3-nitrophenyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]benzamide IUPAC Name: 3-methyl-N-[4-methylsulfanyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide Traditional Name: 3-methyl-N-[3-(methylthio)-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-13-5-3-6-14(11-13)18(25)21-17(9-10-30-2)20(27)23-22-19(26)15-7-4-8-16(12-15)24(28)29/h3-8,11-12,17H,9-10H2,1-2H3,(H,21,25)(H,22,26)(H,23,27)