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

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]octanamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]octanamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]octanamide Traditional Name: N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]caprylamide Formula: C21H33N3O3S2 MolecularWeight: 439.63502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S2/c1-3-4-5-6-7-8-20(25)23-21(28)22-18-9-11-19(12-10-18)29(26,27)24-15-13-17(2)14-16-24/h9-12,17H,3-8,13-16H2,1-2H3,(H2,22,23,25,28)