2-[(3-chlorophenyl)methylsulfanyl]-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-pentyl-quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-pentyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pentyl-quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-pentyl-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pentylquinazolin-4-one Traditional Name: 3-amyl-2-[(3-chlorobenzyl)thio]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)quinazolin-4-one Formula: C30H30ClN3O2S MolecularWeight: 532.0961

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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=C1SCC5=CC(=CC=C5)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)N=C1SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H30ClN3O2S/c1-2-3-6-15-34-29(36)26-13-12-23(28(35)33-16-14-22-9-4-5-10-24(22)19-33)18-27(26)32-30(34)37-20-21-8-7-11-25(31)17-21/h4-5,7-13,17-18H,2-3,6,14-16,19-20H2,1H3