tert-butyl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbothioylamino)-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 5-(2,3-dihydro-1,4-benzodioxin-3-ylcarbothioylamino)-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylate Openeye Name: tert-butyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbothioylamino)-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylate CAS Name: 5-[[2,3-dihydro-1,4-benzodioxin-3-yl(sulfanylidene)methyl]amino]-2-(dimethylamino)-3-phenyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbothioylamino)-2-(dimethylamino)-3-phenylimidazole-4-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-3-carbothioylamino)-2-(dimethylamino)-3-phenyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=S)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=S)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H28N4O4S/c1-25(2,3)33-23(30)20-21(27-24(28(4)5)29(20)16-11-7-6-8-12-16)26-22(34)19-15-31-17-13-9-10-14-18(17)32-19/h6-14,19H,15H2,1-5H3,(H,26,34)