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

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)carbonylphenyl]carbamothioyl]octanamide Openeye Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]octanamide CAS Name: N-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]octanamide Traditional Name: N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]caprylamide Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCN(CC2)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCN(CC2)C

InChI

InChI=1S/C21H32N4O2S/c1-3-4-5-6-7-12-19(26)23-21(28)22-18-11-9-8-10-17(18)20(27)25-15-13-24(2)14-16-25/h8-11H,3-7,12-16H2,1-2H3,(H2,22,23,26,28)