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

Systemtic Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]-4-phenyl-butanamide Openeye Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]-4-phenyl-butanamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-4-phenylbutanamide IUPAC Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenylcarbamothioyl]-4-phenylbutanamide Traditional Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-thiocarbamoyl]-4-phenyl-butyramide Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)ON(C3=CC=CC=C3)C(=S)NC(=O)CCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)ON(C3=CC=CC=C3)C(=S)NC(=O)CCCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H26N4O4S/c1-33-23-16-21-22(17-24(23)34-2)28-18-29-26(21)35-31(20-13-7-4-8-14-20)27(36)30-25(32)15-9-12-19-10-5-3-6-11-19/h3-8,10-11,13-14,16-18H,9,12,15H2,1-2H3,(H,30,32,36)