butyl 4-[(5-chloranyl-1-benzofuran-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: butyl 4-[(5-chloranyl-1-benzofuran-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: butyl 4-[(5-chlorobenzofuran-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-chloro-2-benzofuranyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5-chloro-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-chlorobenzofuran-2-carbonyl)thiocarbamoylamino]benzoic acid butyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C21H19ClN2O4S/c1-2-3-10-27-20(26)13-4-7-16(8-5-13)23-21(29)24-19(25)18-12-14-11-15(22)6-9-17(14)28-18/h4-9,11-12H,2-3,10H2,1H3,(H2,23,24,25,29)