N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C23H26IN3O2S MolecularWeight: 535.44091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NC3CCCCC3)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NC3CCCCC3)I

InChI

InChI=1S/C23H26IN3O2S/c1-15-12-13-16(14-19(15)24)21(28)26-23(30)27(2)20-11-7-6-10-18(20)22(29)25-17-8-4-3-5-9-17/h6-7,10-14,17H,3-5,8-9H2,1-2H3,(H,25,29)(H,26,28,30)