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

Systemtic Name: propyl 4-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C21H19ClN2O4S2 MolecularWeight: 462.96956

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S2/c1-3-10-28-20(26)12-4-6-13(7-5-12)23-21(29)24-19(25)18-17(22)15-9-8-14(27-2)11-16(15)30-18/h4-9,11H,3,10H2,1-2H3,(H2,23,24,25,29)