methyl 4-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-chloro-6-methoxy-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C19H15ClN2O4S2 MolecularWeight: 434.9164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C19H15ClN2O4S2/c1-25-12-7-8-13-14(9-12)28-16(15(13)20)17(23)22-19(27)21-11-5-3-10(4-6-11)18(24)26-2/h3-9H,1-2H3,(H2,21,22,23,27)