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

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-N-homoveratryl-nicotinamide Formula: C24H24BrN3O4S MolecularWeight: 530.43406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C24H24BrN3O4S/c1-31-20-10-5-16(14-21(20)32-2)11-13-26-23(30)19-4-3-12-27-24(19)33-15-22(29)28-18-8-6-17(25)7-9-18/h3-10,12,14H,11,13,15H2,1-2H3,(H,26,30)(H,28,29)