2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(diphenylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(diphenylmethyl)pyridine-3-carboxamide Openeye Name: N-benzhydryl-2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 2-[[2-(butylamino)-2-oxoethyl]thio]-N-(diphenylmethyl)-3-pyridinecarboxamide IUPAC Name: N-benzhydryl-2-[2-(butylamino)-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-benzhydryl-2-[[2-(butylamino)-2-keto-ethyl]thio]nicotinamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=C(C=CC=N1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=C(C=CC=N1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O2S/c1-2-3-16-26-22(29)18-31-25-21(15-10-17-27-25)24(30)28-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-15,17,23H,2-3,16,18H2,1H3,(H,26,29)(H,28,30)