N-[2-(cyclohexen-1-yl)ethyl]-2-(6-ethyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(6-ethyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(6-ethyl-2-phenyl-quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(6-ethyl-2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(6-ethyl-2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(6-ethyl-2-phenyl-quinazolin-4-yl)thio]acetamide Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NCCC3=CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NCCC3=CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3OS/c1-2-19-13-14-23-22(17-19)26(29-25(28-23)21-11-7-4-8-12-21)31-18-24(30)27-16-15-20-9-5-3-6-10-20/h4,7-9,11-14,17H,2-3,5-6,10,15-16,18H2,1H3,(H,27,30)