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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=S)N(C(=O)CCCC2=CC=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=S)N(C(=O)CCCC2=CC=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC

InChI

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