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

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-N-(3-pyridylmethyl)nicotinamide Formula: C20H17BrN4O2S MolecularWeight: 457.34358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrN4O2S/c21-15-5-7-16(8-6-15)25-18(26)13-28-20-17(4-2-10-23-20)19(27)24-12-14-3-1-9-22-11-14/h1-11H,12-13H2,(H,24,27)(H,25,26)