N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]octanamide

Systemtic Name: N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]octanamide Openeye Name: N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]octanamide CAS Name: N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]octanamide Traditional Name: N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]caprylamide Formula: C20H31N3O3S2 MolecularWeight: 425.60844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C20H31N3O3S2/c1-2-3-4-5-7-10-19(24)22-20(27)21-17-11-13-18(14-12-17)28(25,26)23-15-8-6-9-16-23/h11-14H,2-10,15-16H2,1H3,(H2,21,22,24,27)