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

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methyl-pentanamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methyl-pentanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-2-methylpentanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methylpentanamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]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)NC1=CC=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CCCC(C)C(=O)NC(=S)NC1=CC=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C23H26N4O4S/c1-5-6-14(2)21(28)27-23(32)26-15-7-9-16(10-8-15)31-22-17-11-19(29-3)20(30-4)12-18(17)24-13-25-22/h7-14H,5-6H2,1-4H3,(H2,26,27,28,32)