3-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-4-methyl-benzoate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-4-methyl-benzoate Openeye Name: 3-(benzofuran-2-carbonylcarbamothioylamino)-4-methyl-benzoate CAS Name: 3-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoate IUPAC Name: 3-(1-benzofuran-2-carbonylcarbamothioylamino)-4-methylbenzoate Traditional Name: 3-(benzofuran-2-carbonylthiocarbamoylamino)-4-methyl-benzoate Formula: C18H13N2O4S- MolecularWeight: 353.37182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C18H14N2O4S/c1-10-6-7-12(17(22)23)8-13(10)19-18(25)20-16(21)15-9-11-4-2-3-5-14(11)24-15/h2-9H,1H3,(H,22,23)(H2,19,20,21,25)/p-1