N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-N-methyl-2-[(4-nitrophenyl)thio]propionamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC(=O)NC1=CC=CC=C1Br)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)CC(=O)NC1=CC=CC=C1Br)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O4S/c1-12(27-14-9-7-13(8-10-14)22(25)26)18(24)21(2)11-17(23)20-16-6-4-3-5-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,23)