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

Systemtic Name: 2-bromanyl-N-[4-methylsulfanyl-1-[(3-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[3-methylsulfanyl-1-[(3-nitrophenyl)carbamoyl]propyl]benzamide CAS Name: 2-bromo-N-[4-(methylthio)-1-(3-nitroanilino)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[4-methylsulfanyl-1-(3-nitroanilino)-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-[(3-nitrophenyl)carbamoyl]propyl]benzamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CSCCC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H18BrN3O4S/c1-27-10-9-16(21-17(23)14-7-2-3-8-15(14)19)18(24)20-12-5-4-6-13(11-12)22(25)26/h2-8,11,16H,9-10H2,1H3,(H,20,24)(H,21,23)