N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]octanamide

Systemtic Name: N-[[3-(4-methylpiperidin-1-yl)carbonylphenyl]carbamothioyl]octanamide Openeye Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]octanamide CAS Name: N-[[3-[(4-methyl-1-piperidinyl)-oxomethyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[3-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]octanamide Traditional Name: N-[[3-(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(=C1)C(=O)N2CCC(CC2)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)N2CCC(CC2)C

InChI

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