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

Systemtic Name: 4-chloranyl-N-[1-[(4-methoxyphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[1-[(4-methoxyphenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(4-methoxyanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(4-methoxyanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(4-methoxyphenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O5S/c1-28-14-6-4-13(5-7-14)21-19(25)16(9-10-29-2)22-18(24)12-3-8-15(20)17(11-12)23(26)27/h3-8,11,16H,9-10H2,1-2H3,(H,21,25)(H,22,24)