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

Systemtic Name: 4-chloranyl-N-[1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-(p-tolylmethylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(4-methylphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(4-methylbenzyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H22ClN3O4S MolecularWeight: 435.92438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O4S/c1-13-3-5-14(6-4-13)12-22-20(26)17(9-10-29-2)23-19(25)15-7-8-16(21)18(11-15)24(27)28/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,26)(H,23,25)