N-cycloheptyl-2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-cycloheptyl-2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-cycloheptyl-2-[6-ethyl-2-(m-tolyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-cycloheptyl-2-[[6-ethyl-2-(3-methylphenyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-cycloheptyl-2-[[6-ethyl-2-(m-tolyl)quinazolin-4-yl]thio]acetamide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3CCCCCC3)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3CCCCCC3)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H31N3OS/c1-3-19-13-14-23-22(16-19)26(29-25(28-23)20-10-8-9-18(2)15-20)31-17-24(30)27-21-11-6-4-5-7-12-21/h8-10,13-16,21H,3-7,11-12,17H2,1-2H3,(H,27,30)