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

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-5-methyl-benzoic acid Openeye Name: 2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]-5-methyl-benzoic acid CAS Name: 2-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-methylbenzoic acid Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]-5-methyl-benzoic acid Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O

InChI

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