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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C17H9ClI2N2O3S2 MolecularWeight: 642.6569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)I)I)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)I)I)Cl

InChI

InChI=1S/C17H9ClI2N2O3S2/c18-12-8-3-1-2-4-11(8)27-14(12)15(23)22-17(26)21-13-9(16(24)25)5-7(19)6-10(13)20/h1-6H,(H,24,25)(H2,21,22,23,26)