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

Systemtic Name: 4-chloranyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(2-thiophen-2-ylcarbonylhydrazinyl)butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-[(thiophene-2-carbonylamino)carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-(methylthio)-1-oxo-1-[[oxo(thiophen-2-yl)methyl]hydrazo]butan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-methylsulfanyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-[(2-thenoylamino)carbamoyl]propyl]-3-nitro-benzamide Formula: C17H17ClN4O5S2 MolecularWeight: 456.92368

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC(=O)C1=CC=CS1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NNC(=O)C1=CC=CS1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN4O5S2/c1-28-8-6-12(16(24)20-21-17(25)14-3-2-7-29-14)19-15(23)10-4-5-11(18)13(9-10)22(26)27/h2-5,7,9,12H,6,8H2,1H3,(H,19,23)(H,20,24)(H,21,25)