propan-2-yl 2-chloranyl-5-[(3-methyl-1-benzofuran-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propan-2-yl 2-chloranyl-5-[(3-methyl-1-benzofuran-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: isopropyl 2-chloro-5-[(3-methylbenzofuran-2-carbonyl)carbamothioylamino]benzoate CAS Name: 2-chloro-5-[[[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-5-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 2-chloro-5-[(3-methylbenzofuran-2-carbonyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)OC(C)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C(=O)OC(C)C

InChI

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