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

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

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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-])CCC5=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-])CCC5=CC=CC=C5

InChI

InChI=1S/C32H28N4O4S/c1-34(21-24-11-6-3-7-12-24)30(37)26-15-16-28-29(20-26)33-32(41-22-25-13-8-14-27(19-25)36(39)40)35(31(28)38)18-17-23-9-4-2-5-10-23/h2-16,19-20H,17-18,21-22H2,1H3