N-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]thio]acetamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H28N4OS/c30-23(26-20-10-2-1-3-11-20)17-31-24-21-12-6-7-13-22(21)27-25(28-24)29-15-14-18-8-4-5-9-19(18)16-29/h4-9,12-13,20H,1-3,10-11,14-17H2,(H,26,30)