N-(cyclohexylmethyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H29N3O2S MolecularWeight: 435.58166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4CCCCC4

InChI

InChI=1S/C25H29N3O2S/c1-2-18-12-14-20(15-13-18)28-24(30)21-10-6-7-11-22(21)27-25(28)31-17-23(29)26-16-19-8-4-3-5-9-19/h6-7,10-15,19H,2-5,8-9,16-17H2,1H3,(H,26,29)