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

Systemtic Name: 2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[[2-(butylamino)-2-oxoethyl]thio]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(butylamino)-2-oxoethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(butylamino)-2-keto-ethyl]thio]-N-(3-pyridylmethyl)nicotinamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=C(C=CC=N1)C(=O)NCC2=CN=CC=C2

Isomeric SMILES

CCCCNC(=O)CSC1=C(C=CC=N1)C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C18H22N4O2S/c1-2-3-9-20-16(23)13-25-18-15(7-5-10-21-18)17(24)22-12-14-6-4-8-19-11-14/h4-8,10-11H,2-3,9,12-13H2,1H3,(H,20,23)(H,22,24)