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

Systemtic Name: ethyl 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H14Cl2N2O3S2 MolecularWeight: 453.36206

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H14Cl2N2O3S2/c1-2-26-18(25)10-3-6-12(7-4-10)22-19(27)23-17(24)16-15(21)13-8-5-11(20)9-14(13)28-16/h3-9H,2H2,1H3,(H2,22,23,24,27)