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

Systemtic Name: ethyl 4-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H17ClN2O4S2 MolecularWeight: 448.94298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C20H17ClN2O4S2/c1-3-27-19(25)11-4-6-12(7-5-11)22-20(28)23-18(24)17-16(21)14-9-8-13(26-2)10-15(14)29-17/h4-10H,3H2,1-2H3,(H2,22,23,24,28)