2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

InChI

InChI=1S/C26H28N4O5S/c1-17(24(31)27-22-16-19(30(33)34)12-13-23(22)35-2)36-26-28-21-11-7-6-10-20(21)25(32)29(26)15-14-18-8-4-3-5-9-18/h6-8,10-13,16-17H,3-5,9,14-15H2,1-2H3,(H,27,31)