2-[(4-chlorophenyl)methylsulfanyl]-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-(phenylmethyl)-6-piperidin-1-yl-quinazolin-4-one Openeye Name: 3-benzyl-2-[(4-chlorophenyl)methylsulfanyl]-6-(1-piperidyl)quinazolin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-(phenylmethyl)-6-(1-piperidinyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(4-chlorophenyl)methylsulfanyl]-6-piperidin-1-ylquinazolin-4-one Traditional Name: 3-benzyl-2-[(4-chlorobenzyl)thio]-6-piperidino-quinazolin-4-one Formula: C27H26ClN3OS MolecularWeight: 476.03284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)N=C(N(C3=O)CC4=CC=CC=C4)SCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H26ClN3OS/c28-22-11-9-21(10-12-22)19-33-27-29-25-14-13-23(30-15-5-2-6-16-30)17-24(25)26(32)31(27)18-20-7-3-1-4-8-20/h1,3-4,7-14,17H,2,5-6,15-16,18-19H2