2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)propanamide

Systemtic Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)propanamide Openeye Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)propanamide CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-(2,5-dimethoxyphenyl)propanamide IUPAC Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,5-dimethoxyphenyl)propanamide Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-(2,5-dimethoxyphenyl)propionamide Formula: C27H31N3O4S MolecularWeight: 493.61774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

InChI

InChI=1S/C27H31N3O4S/c1-18(25(31)28-23-17-20(33-2)13-14-24(23)34-3)35-27-29-22-12-8-7-11-21(22)26(32)30(27)16-15-19-9-5-4-6-10-19/h7-9,11-14,17-18H,4-6,10,15-16H2,1-3H3,(H,28,31)