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

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O

InChI

InChI=1S/C18H13ClN2O3S2/c1-9-10(17(23)24)6-4-7-12(9)20-18(25)21-16(22)15-14(19)11-5-2-3-8-13(11)26-15/h2-8H,1H3,(H,23,24)(H2,20,21,22,25)