methyl 4-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-iodo-4-methyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-iodo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-iodo-4-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-iodo-4-methyl-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H15IN2O3S MolecularWeight: 454.28207

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)C(=O)OC)I

Isomeric SMILES

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

InChI

InChI=1S/C17H15IN2O3S/c1-10-3-4-12(9-14(10)18)15(21)20-17(24)19-13-7-5-11(6-8-13)16(22)23-2/h3-9H,1-2H3,(H2,19,20,21,24)