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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-3-cyclohexyl-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H34N4O4S/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/h7-8,10,13-15,18-19,24H,1-6,9,11-12,16-17,20H2,(H,31,35)