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

Systemtic Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C23H26IN3O3S MolecularWeight: 551.44031

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)C3=CC(=C(C=C3)OC)I

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)C3=CC(=C(C=C3)OC)I

InChI

InChI=1S/C23H26IN3O3S/c1-27(23(31)26-21(28)15-12-13-20(30-2)18(24)14-15)19-11-7-6-10-17(19)22(29)25-16-8-4-3-5-9-16/h6-7,10-14,16H,3-5,8-9H2,1-2H3,(H,25,29)(H,26,28,31)