methyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H13ClN2O3S2 MolecularWeight: 404.89042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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