butyl 2-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(benzofuran-2-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(1-benzofuran-2-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(benzofuran-2-carbonylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H19N3O4S2/c1-2-3-10-28-20(27)14-8-9-15-18(12-14)31-22(23-15)25-21(30)24-19(26)17-11-13-6-4-5-7-16(13)29-17/h4-9,11-12H,2-3,10H2,1H3,(H2,23,24,25,26,30)