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

Systemtic Name: butyl 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C21H18Cl2N2O3S2 MolecularWeight: 481.41522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O3S2/c1-2-3-10-28-20(27)12-4-7-14(8-5-12)24-21(29)25-19(26)18-17(23)15-9-6-13(22)11-16(15)30-18/h4-9,11H,2-3,10H2,1H3,(H2,24,25,26,29)