N-[[[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]amino]methyl]ethanamide

Systemtic Name: N-[[[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]amino]methyl]ethanamide Openeye Name: N-[[[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]amino]methyl]acetamide CAS Name: N-[[[[N-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]amino]methyl]acetamide IUPAC Name: N-[[[(6,7-dimethoxyquinazolin-4-yl)oxy-phenylcarbamothioyl]amino]methyl]acetamide Traditional Name: N-[[[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-thiocarbamoyl]amino]methyl]acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCNC(=S)N(C1=CC=CC=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CC(=O)NCNC(=S)N(C1=CC=CC=C1)OC2=NC=NC3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C20H21N5O4S/c1-13(26)21-11-24-20(30)25(14-7-5-4-6-8-14)29-19-15-9-17(27-2)18(28-3)10-16(15)22-12-23-19/h4-10,12H,11H2,1-3H3,(H,21,26)(H,24,30)