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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-cyclohexyl-7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-cyclohexyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)quinazolin-4-one Formula: C31H30ClN3O2S MolecularWeight: 544.1068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC6=CC(=CC=C6)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)N=C2SCC6=CC(=CC=C6)Cl

InChI

InChI=1S/C31H30ClN3O2S/c32-25-10-6-7-21(17-25)20-38-31-33-28-18-23(29(36)34-16-15-22-8-4-5-9-24(22)19-34)13-14-27(28)30(37)35(31)26-11-2-1-3-12-26/h4-10,13-14,17-18,26H,1-3,11-12,15-16,19-20H2