2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]-5-iodo-benzoic acid Formula: C17H10ClIN2O3S2 MolecularWeight: 516.76037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(=O)O)Cl

InChI

InChI=1S/C17H10ClIN2O3S2/c18-13-9-3-1-2-4-12(9)26-14(13)15(22)21-17(25)20-11-6-5-8(19)7-10(11)16(23)24/h1-7H,(H,23,24)(H2,20,21,22,25)