3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid Formula: C17H10Cl2N2O3S2 MolecularWeight: 425.3089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H10Cl2N2O3S2/c18-9-4-5-11-12(7-9)26-14(13(11)19)15(22)21-17(25)20-10-3-1-2-8(6-10)16(23)24/h1-7H,(H,23,24)(H2,20,21,22,25)