2-[(3-chlorophenyl)methylsulfanyl]-3-phenyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-phenyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-phenyl-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-7-[oxo(1-piperidinyl)methyl]-3-phenyl-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-phenyl-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-phenyl-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C27H24ClN3O2S MolecularWeight: 490.01636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H24ClN3O2S/c28-21-9-7-8-19(16-21)18-34-27-29-24-17-20(25(32)30-14-5-2-6-15-30)12-13-23(24)26(33)31(27)22-10-3-1-4-11-22/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2