N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]-2-methyl-pentanamide

Systemtic Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]-2-methyl-pentanamide Openeye Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]-2-methyl-pentanamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-2-methylpentanamide IUPAC Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenylcarbamothioyl]-2-methylpentanamide Traditional Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-thiocarbamoyl]-2-methyl-valeramide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC(=S)N(C1=CC=CC=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CCCC(C)C(=O)NC(=S)N(C1=CC=CC=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C23H26N4O4S/c1-5-9-15(2)21(28)26-23(32)27(16-10-7-6-8-11-16)31-22-17-12-19(29-3)20(30-4)13-18(17)24-14-25-22/h6-8,10-15H,5,9H2,1-4H3,(H,26,28,32)