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

Systemtic Name: 3-iodanyl-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[4-(1-piperidylsulfonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide Traditional Name: 3-iodo-4-methyl-N-[(4-piperidinosulfonylphenyl)thiocarbamoyl]benzamide Formula: C20H22IN3O3S2 MolecularWeight: 543.44145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)I

InChI

InChI=1S/C20H22IN3O3S2/c1-14-5-6-15(13-18(14)21)19(25)23-20(28)22-16-7-9-17(10-8-16)29(26,27)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H2,22,23,25,28)