N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-1-methyl-cyclohexane-1-carboxamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-1-methyl-cyclohexane-1-carboxamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-1-methyl-cyclohexanecarboxamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-1-methyl-1-cyclohexanecarboxamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-1-methylcyclohexane-1-carboxamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]-1-methyl-cyclohexanecarboxamide Formula: C25H28N4O4S MolecularWeight: 480.57922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC1(CCCCC1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C25H28N4O4S/c1-25(11-5-4-6-12-25)23(30)29-24(34)28-16-7-9-17(10-8-16)33-22-18-13-20(31-2)21(32-3)14-19(18)26-15-27-22/h7-10,13-15H,4-6,11-12H2,1-3H3,(H2,28,29,30,34)