5-chloranyl-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]pentanamide

Systemtic Name: 5-chloranyl-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]pentanamide Openeye Name: 5-chloro-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]pentanamide CAS Name: 5-chloro-N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: 5-chloro-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]pentanamide Traditional Name: 5-chloro-N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]valeramide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)CCCCCl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)CCCCCl)OC

InChI

InChI=1S/C22H23ClN4O4S/c1-29-18-11-16-17(12-19(18)30-2)24-13-25-21(16)31-15-8-6-14(7-9-15)26-22(32)27-20(28)5-3-4-10-23/h6-9,11-13H,3-5,10H2,1-2H3,(H2,26,27,28,32)