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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O2S/c1-4-16(3)14-19(25)24-11-9-23(10-12-24)18-7-6-17(15-22-18)20(26)21-8-13-27-5-2/h6-7,15-16H,4-5,8-14H2,1-3H3,(H,21,26)