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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-keto-2-[(3-nitrobenzyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C32H28N4O6S MolecularWeight: 596.65292

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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-])CCC5=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-])CCC5=CC=CC=C5)OC

InChI

InChI=1S/C32H28N4O6S/c1-41-28-14-12-24(19-29(28)42-2)33-30(37)23-11-13-26-27(18-23)34-32(43-20-22-9-6-10-25(17-22)36(39)40)35(31(26)38)16-15-21-7-4-3-5-8-21/h3-14,17-19H,15-16,20H2,1-2H3,(H,33,37)