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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-benzyl-4-keto-2-[(3-nitrobenzyl)thio]-3-phenyl-quinazoline-7-carboxamide Formula: C29H22N4O4S MolecularWeight: 522.57438

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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-])C5=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-])C5=CC=CC=C5

InChI

InChI=1S/C29H22N4O4S/c34-27(30-18-20-8-3-1-4-9-20)22-14-15-25-26(17-22)31-29(32(28(25)35)23-11-5-2-6-12-23)38-19-21-10-7-13-24(16-21)33(36)37/h1-17H,18-19H2,(H,30,34)