N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-[(3-nitrobenzyl)thio]-3-phenyl-quinazoline-7-carboxamide Formula: C30H28N4O4S MolecularWeight: 540.63272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=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)CCNC(=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/C30H28N4O4S/c35-28(31-17-16-21-8-3-1-4-9-21)23-14-15-26-27(19-23)32-30(33(29(26)36)24-11-5-2-6-12-24)39-20-22-10-7-13-25(18-22)34(37)38/h2,5-8,10-15,18-19H,1,3-4,9,16-17,20H2,(H,31,35)