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

Systemtic Name: 4-chloranyl-N-[1-[(2-methylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-(o-tolylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-(2-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-(2-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[3-(methylthio)-1-(o-tolylcarbamoyl)propyl]-3-nitro-benzamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(CCSC)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O4S/c1-12-5-3-4-6-15(12)21-19(25)16(9-10-28-2)22-18(24)13-7-8-14(20)17(11-13)23(26)27/h3-8,11,16H,9-10H2,1-2H3,(H,21,25)(H,22,24)