N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-keto-2-[(3-nitrobenzyl)thio]-3-phenethyl-quinazoline-7-carboxamide Formula: C32H28N4O4S MolecularWeight: 564.65412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CCC5=CC=CC=C5)C

InChI

InChI=1S/C32H28N4O4S/c1-21-15-22(2)17-26(16-21)33-30(37)25-11-12-28-29(19-25)34-32(41-20-24-9-6-10-27(18-24)36(39)40)35(31(28)38)14-13-23-7-4-3-5-8-23/h3-12,15-19H,13-14,20H2,1-2H3,(H,33,37)