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

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-butyl-pyridine-3-carboxamide Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-N-butyl-pyridine-3-carboxamide CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-N-butyl-3-pyridinecarboxamide IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-butylpyridine-3-carboxamide Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-N-butyl-nicotinamide Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCNC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H20BrN3O2S/c1-2-3-10-20-17(24)15-5-4-11-21-18(15)25-12-16(23)22-14-8-6-13(19)7-9-14/h4-9,11H,2-3,10,12H2,1H3,(H,20,24)(H,22,23)