methyl 4-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-(benzofuran-2-yl)thiazol-2-yl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[4-(2-benzofuranyl)-2-thiazolyl]amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(benzofuran-2-yl)thiazol-2-yl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H15N3O4S2 MolecularWeight: 437.4915

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H15N3O4S2/c1-27-19(26)13-8-6-12(7-9-13)18(25)23-20(29)24-21-22-15(11-30-21)17-10-14-4-2-3-5-16(14)28-17/h2-11H,1H3,(H2,22,23,24,25,29)