7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-pentyl-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-pentyl-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pentyl-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-pentyl-2-(phenacylthio)-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pentyl-2-phenacylsulfanylquinazolin-4-one Traditional Name: 3-amyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(phenacylthio)quinazolin-4-one Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)N=C1SCC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)N=C1SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c1-2-3-9-17-34-30(37)26-15-14-24(29(36)33-18-16-22-10-7-8-13-25(22)20-33)19-27(26)32-31(34)38-21-28(35)23-11-5-4-6-12-23/h4-8,10-15,19H,2-3,9,16-18,20-21H2,1H3