propan-2-yl 4-[(3-methyl-1-benzofuran-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[(3-methyl-1-benzofuran-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: isopropyl 4-[(3-methylbenzofuran-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-methyl-2-benzofuranyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-methylbenzofuran-2-carbonyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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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)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-12(2)26-20(25)14-8-10-15(11-9-14)22-21(28)23-19(24)18-13(3)16-6-4-5-7-17(16)27-18/h4-12H,1-3H3,(H2,22,23,24,28)