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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N,3-bis(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N,3-dibenzyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-nitrophenyl)methylthio]-4-oxo-N,3-bis(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N,3-dibenzyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N,3-dibenzyl-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C30H24N4O4S MolecularWeight: 536.60096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C30H24N4O4S/c35-28(31-18-21-8-3-1-4-9-21)24-14-15-26-27(17-24)32-30(33(29(26)36)19-22-10-5-2-6-11-22)39-20-23-12-7-13-25(16-23)34(37)38/h1-17H,18-20H2,(H,31,35)