propan-2-yl 5-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-2-chloranyl-benzoate

Systemtic Name: propan-2-yl 5-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-2-chloranyl-benzoate Openeye Name: isopropyl 5-(benzofuran-2-carbonylcarbamothioylamino)-2-chloro-benzoate CAS Name: 5-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(1-benzofuran-2-carbonylcarbamothioylamino)-2-chlorobenzoate Traditional Name: 5-(benzofuran-2-carbonylthiocarbamoylamino)-2-chloro-benzoic acid isopropyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)Cl

Isomeric SMILES

CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2)Cl

InChI

InChI=1S/C20H17ClN2O4S/c1-11(2)26-19(25)14-10-13(7-8-15(14)21)22-20(28)23-18(24)17-9-12-5-3-4-6-16(12)27-17/h3-11H,1-2H3,(H2,22,23,24,28)