N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-N-methyl-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-N-methyl-2-(phenylthio)nicotinamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H18BrN3O2S/c1-25(14-19(26)24-18-12-6-5-11-17(18)22)21(27)16-10-7-13-23-20(16)28-15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,24,26)