N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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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)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C=C3)NC(=S)NC(=O)C4CCCCC4)OC

InChI

InChI=1S/C24H26N4O4S/c1-30-20-12-18-19(13-21(20)31-2)25-14-26-23(18)32-17-10-8-16(9-11-17)27-24(33)28-22(29)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3,(H2,27,28,29,33)