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

Systemtic Name: 2-bromanyl-N-[1-[(4-methyl-3-nitro-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[(4-methyl-3-nitro-phenyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-(4-methyl-3-nitroanilino)-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-(4-methyl-3-nitroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[(4-methyl-3-nitro-phenyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O4S/c1-12-7-8-13(11-17(12)23(26)27)21-19(25)16(9-10-28-2)22-18(24)14-5-3-4-6-15(14)20/h3-8,11,16H,9-10H2,1-2H3,(H,21,25)(H,22,24)