2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-N-(p-tolyl)pyridine-3-carboxamide CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-4,6-dimethyl-N-(4-methylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(4-methylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-4,6-dimethyl-N-(p-tolyl)nicotinamide Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N=C(C=C2C)C)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N=C(C=C2C)C)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H22BrN3O2S/c1-14-4-8-19(9-5-14)27-22(29)21-15(2)12-16(3)25-23(21)30-13-20(28)26-18-10-6-17(24)7-11-18/h4-12H,13H2,1-3H3,(H,26,28)(H,27,29)