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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

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