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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-(3,5-dimethylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(3,5-dimethylphenyl)-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C31H26N4O4S MolecularWeight: 550.62754

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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-])CC5=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-])CC5=CC=CC=C5)C

InChI

InChI=1S/C31H26N4O4S/c1-20-13-21(2)15-25(14-20)32-29(36)24-11-12-27-28(17-24)33-31(34(30(27)37)18-22-7-4-3-5-8-22)40-19-23-9-6-10-26(16-23)35(38)39/h3-17H,18-19H2,1-2H3,(H,32,36)