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

Systemtic Name: N,3-dicyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N,3-dicyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N,3-dicyclohexyl-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N,3-dicyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N,3-dicyclohexyl-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C28H32N4O4S MolecularWeight: 520.64308

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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-])C5CCCCC5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)[N+](=O)[O-])C5CCCCC5

InChI

InChI=1S/C28H32N4O4S/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/h7-8,13-17,21-22H,1-6,9-12,18H2,(H,29,33)