N-(4-chloranyl-3-nitro-phenyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]acetamide Formula: C24H23ClN4O4S MolecularWeight: 498.98182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H23ClN4O4S/c25-19-11-10-17(14-21(19)29(32)33)26-22(30)15-34-24-27-20-9-5-4-8-18(20)23(31)28(24)13-12-16-6-2-1-3-7-16/h4-6,8-11,14H,1-3,7,12-13,15H2,(H,26,30)