N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-keto-2-[(3-nitrobenzyl)thio]-3-phenyl-quinazoline-7-carboxamide Formula: C30H24N4O6S MolecularWeight: 568.59976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)OC

InChI

InChI=1S/C30H24N4O6S/c1-39-26-14-12-21(17-27(26)40-2)31-28(35)20-11-13-24-25(16-20)32-30(33(29(24)36)22-8-4-3-5-9-22)41-18-19-7-6-10-23(15-19)34(37)38/h3-17H,18H2,1-2H3,(H,31,35)