6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide

Systemtic Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide Openeye Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide CAS Name: 6-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]-N-[2-(ethylthio)ethyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-(2-ethylbutanoyl)piperazin-1-yl]-N-(2-ethylsulfanylethyl)pyridine-3-carboxamide Traditional Name: 6-[4-(2-ethylbutanoyl)piperazino]-N-[2-(ethylthio)ethyl]nicotinamide Formula: C20H32N4O2S MolecularWeight: 392.55868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCSCC

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC=C(C=C2)C(=O)NCCSCC

InChI

InChI=1S/C20H32N4O2S/c1-4-16(5-2)20(26)24-12-10-23(11-13-24)18-8-7-17(15-22-18)19(25)21-9-14-27-6-3/h7-8,15-16H,4-6,9-14H2,1-3H3,(H,21,25)