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

Systemtic Name: propyl 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C20H16Cl2N2O3S2 MolecularWeight: 467.38864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2N2O3S2/c1-2-9-27-19(26)11-3-6-13(7-4-11)23-20(28)24-18(25)17-16(22)14-8-5-12(21)10-15(14)29-17/h3-8,10H,2,9H2,1H3,(H2,23,24,25,28)