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

Systemtic Name: N-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: N-cyclohexyl-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-cyclohexyl-4-keto-2-[(3-nitrobenzyl)thio]-3-phenyl-quinazoline-7-carboxamide Formula: C28H26N4O4S MolecularWeight: 514.59544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=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/C28H26N4O4S/c33-26(29-21-9-3-1-4-10-21)20-14-15-24-25(17-20)30-28(31(27(24)34)22-11-5-2-6-12-22)37-18-19-8-7-13-23(16-19)32(35)36/h2,5-8,11-17,21H,1,3-4,9-10,18H2,(H,29,33)