2-(2-methylphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(o-tolyl)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(2-methylphenyl)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-methylphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(o-tolyl)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O3S2/c1-16-7-3-4-8-17(16)15-20(25)23-21(28)22-18-9-11-19(12-10-18)29(26,27)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,22,23,25,28)