2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-[[2-(butylamino)-2-oxoethyl]thio]-N-[2-(1-cyclohexenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(butylamino)-2-oxoethyl]sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(butylamino)-2-keto-ethyl]thio]-N-[2-(cyclohexen-1-yl)ethyl]nicotinamide Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=C(C=CC=N1)C(=O)NCCC2=CCCCC2

Isomeric SMILES

CCCCNC(=O)CSC1=C(C=CC=N1)C(=O)NCCC2=CCCCC2

InChI

InChI=1S/C20H29N3O2S/c1-2-3-12-21-18(24)15-26-20-17(10-7-13-23-20)19(25)22-14-11-16-8-5-4-6-9-16/h7-8,10,13H,2-6,9,11-12,14-15H2,1H3,(H,21,24)(H,22,25)