4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(2-pyridin-2-ylcarbonylhydrazinyl)butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(2-pyridin-2-ylcarbonylhydrazinyl)butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-[(pyridine-2-carbonylamino)carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(methylthio)-1-oxo-1-[[oxo(2-pyridinyl)methyl]hydrazo]butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-methylsulfanyl-1-oxo-1-[2-(pyridine-2-carbonyl)hydrazinyl]butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-(picolinamidocarbamoyl)propyl]-3-nitro-benzamide Formula: C18H18ClN5O5S MolecularWeight: 451.88402

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=CC=CC=N1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NNC(=O)C1=CC=CC=N1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN5O5S/c1-30-9-7-14(18(27)23-22-17(26)13-4-2-3-8-20-13)21-16(25)11-5-6-12(19)15(10-11)24(28)29/h2-6,8,10,14H,7,9H2,1H3,(H,21,25)(H,22,26)(H,23,27)