N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-2-iodanyl-benzamide

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-cyclohexyl-carbamothioyl]-2-iodo-benzamide CAS Name: N-[[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylamino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-cyclohexylcarbamothioyl]-2-iodobenzamide Traditional Name: N-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-cyclohexyl-thiocarbamoyl]-2-iodo-benzamide Formula: C24H28IN3O4S MolecularWeight: 581.46629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=S)NC(=O)C3=CC=CC=C3I)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=S)NC(=O)C3=CC=CC=C3I)OCC(=O)N

InChI

InChI=1S/C24H28IN3O4S/c1-31-21-13-16(11-12-20(21)32-15-22(26)29)14-28(17-7-3-2-4-8-17)24(33)27-23(30)18-9-5-6-10-19(18)25/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3,(H2,26,29)(H,27,30,33)