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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid Formula: C17H11ClN2O3S2 MolecularWeight: 390.86384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN2O3S2/c18-13-10-6-2-4-8-12(10)25-14(13)15(21)20-17(24)19-11-7-3-1-5-9(11)16(22)23/h1-8H,(H,22,23)(H2,19,20,21,24)