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

Systemtic Name: N-(4-butylphenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]thio]acetamide Formula: C29H30N4OS MolecularWeight: 482.6397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H30N4OS/c1-2-3-8-21-13-15-24(16-14-21)30-27(34)20-35-28-25-11-6-7-12-26(25)31-29(32-28)33-18-17-22-9-4-5-10-23(22)19-33/h4-7,9-16H,2-3,8,17-20H2,1H3,(H,30,34)