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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=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/C30H24N4O4S/c1-32(19-21-9-4-2-5-10-21)28(35)23-15-16-26-27(18-23)31-30(33(29(26)36)24-12-6-3-7-13-24)39-20-22-11-8-14-25(17-22)34(37)38/h2-18H,19-20H2,1H3