3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]butanamide Traditional Name: 3-methyl-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]butyramide Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S2/c1-13(2)12-16(21)19-17(24)18-14-6-8-15(9-7-14)25(22,23)20-10-4-3-5-11-20/h6-9,13H,3-5,10-12H2,1-2H3,(H2,18,19,21,24)