N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-ethyl-carbamothioyl]-4-phenyl-butanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-ethyl-carbamothioyl]-4-phenyl-butanamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-ethyl-carbamothioyl]-4-phenyl-butanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]-N-ethylanilino]-sulfanylidenemethyl]-4-phenylbutanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-ethylcarbamothioyl]-4-phenylbutanamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-ethyl-thiocarbamoyl]-4-phenyl-butyramide Formula: C29H30N4O4S MolecularWeight: 530.6379

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC)C(=S)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=C(C=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC)C(=S)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C29H30N4O4S/c1-4-33(29(38)32-27(34)12-8-11-20-9-6-5-7-10-20)21-13-15-22(16-14-21)37-28-23-17-25(35-2)26(36-3)18-24(23)30-19-31-28/h5-7,9-10,13-19H,4,8,11-12H2,1-3H3,(H,32,34,38)