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

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(3-methylphenyl)propanamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(m-tolyl)propanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-3-(3-methylphenyl)propanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(3-methylphenyl)propanamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]thiocarbamoyl]-3-(m-tolyl)propionamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCC(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CCC(=O)NC(=S)NC2=CC=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

InChI=1S/C27H26N4O4S/c1-17-5-4-6-18(13-17)7-12-25(32)31-27(36)30-19-8-10-20(11-9-19)35-26-21-14-23(33-2)24(34-3)15-22(21)28-16-29-26/h4-6,8-11,13-16H,7,12H2,1-3H3,(H2,30,31,32,36)