N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(2-methoxyphenyl)propanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(2-methoxyphenyl)propanamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(2-methoxyphenyl)propanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-3-(2-methoxyphenyl)propanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(2-methoxyphenyl)propanamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]-3-(2-methoxyphenyl)propionamide Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C27H26N4O5S/c1-33-22-7-5-4-6-17(22)8-13-25(32)31-27(37)30-18-9-11-19(12-10-18)36-26-20-14-23(34-2)24(35-3)15-21(20)28-16-29-26/h4-7,9-12,14-16H,8,13H2,1-3H3,(H2,30,31,32,37)