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

Systemtic Name: 2-(2-methylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2-methylphenoxy)-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(2-methylphenoxy)-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2-methylphenoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2-methylphenoxy)-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]acetamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O4S2/c1-16-7-3-4-8-19(16)28-15-20(25)23-21(29)22-17-9-11-18(12-10-17)30(26,27)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,22,23,25,29)