N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]octanamide

Systemtic Name: N-[[2-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]octanamide Openeye Name: N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]octanamide CAS Name: N-[[2-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]octanamide Traditional Name: N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]thiocarbamoyl]caprylamide Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCC(CC2)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCC(CC2)C

InChI

InChI=1S/C22H33N3O2S/c1-3-4-5-6-7-12-20(26)24-22(28)23-19-11-9-8-10-18(19)21(27)25-15-13-17(2)14-16-25/h8-11,17H,3-7,12-16H2,1-2H3,(H2,23,24,26,28)