N-[2-(cyclohexen-1-yl)ethyl]-2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[6-ethyl-2-(m-tolyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[6-ethyl-2-(3-methylphenyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[6-ethyl-2-(m-tolyl)quinazolin-4-yl]thio]acetamide Formula: C27H31N3OS MolecularWeight: 445.61954

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3OS/c1-3-20-12-13-24-23(17-20)27(30-26(29-24)22-11-7-8-19(2)16-22)32-18-25(31)28-15-14-21-9-5-4-6-10-21/h7-9,11-13,16-17H,3-6,10,14-15,18H2,1-2H3,(H,28,31)