2-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(3-chloro-4-methyl-benzoyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(3-chloro-4-methylbenzoyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(3-chloro-4-methyl-benzoyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C16H12ClIN2O3S MolecularWeight: 474.70055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClIN2O3S/c1-8-2-3-9(6-12(8)17)14(21)20-16(24)19-13-5-4-10(18)7-11(13)15(22)23/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)