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

Systemtic Name: 4-chloranyl-N-[1-[(4-methyl-3-nitro-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(4-methyl-3-nitro-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(4-methyl-3-nitroanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(4-methyl-3-nitroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(4-methyl-3-nitro-phenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H19ClN4O6S MolecularWeight: 466.89536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O6S/c1-11-3-5-13(10-16(11)23(27)28)21-19(26)15(7-8-31-2)22-18(25)12-4-6-14(20)17(9-12)24(29)30/h3-6,9-10,15H,7-8H2,1-2H3,(H,21,26)(H,22,25)