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

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]octanamide Openeye Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]octanamide CAS Name: N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]octanamide Traditional Name: N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]caprylamide Formula: C20H32N4O3S2 MolecularWeight: 440.62308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C

InChI

InChI=1S/C20H32N4O3S2/c1-3-4-5-6-7-8-19(25)22-20(28)21-17-9-11-18(12-10-17)29(26,27)24-15-13-23(2)14-16-24/h9-12H,3-8,13-16H2,1-2H3,(H2,21,22,25,28)