N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-morpholin-4-yl-phenyl]carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-morpholin-4-yl-phenyl]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-morpholino-phenyl]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinazolinyl)oxy]-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-morpholin-4-ylphenyl]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-morpholino-phenyl]thiocarbamoyl]-2-methyl-benzamide Formula: C29H29N5O5S MolecularWeight: 559.63606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)N5CCOCC5

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)N5CCOCC5

InChI

InChI=1S/C29H29N5O5S/c1-18-6-4-5-7-20(18)27(35)33-29(40)32-22-9-8-19(14-24(22)34-10-12-38-13-11-34)39-28-21-15-25(36-2)26(37-3)16-23(21)30-17-31-28/h4-9,14-17H,10-13H2,1-3H3,(H2,32,33,35,40)