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

Systemtic Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-carbamothioyl]-4-nitro-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinazolinyl)oxy]anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenylcarbamothioyl]-4-nitrobenzamide Traditional Name: N-[(6,7-dimethoxyquinazolin-4-yl)oxy-phenyl-thiocarbamoyl]-4-nitro-benzamide Formula: C24H19N5O6S MolecularWeight: 505.50256

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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)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)ON(C3=CC=CC=C3)C(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H19N5O6S/c1-33-20-12-18-19(13-21(20)34-2)25-14-26-23(18)35-28(16-6-4-3-5-7-16)24(36)27-22(30)15-8-10-17(11-9-15)29(31)32/h3-14H,1-2H3,(H,27,30,36)