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

Systemtic Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoyl]valeramide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S2/c1-3-4-5-17(22)20-18(25)19-15-6-8-16(9-7-15)26(23,24)21-12-10-14(2)11-13-21/h6-9,14H,3-5,10-13H2,1-2H3,(H2,19,20,22,25)