3-(3-chlorophenyl)-2-[5-oxidanylidene-5-[4-(phenylmethyl)piperidin-1-yl]pentyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chlorophenyl)-2-[5-oxidanylidene-5-[4-(phenylmethyl)piperidin-1-yl]pentyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[5-(4-benzyl-1-piperidyl)-5-oxo-pentyl]sulfanyl-3-(3-chlorophenyl)quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[[5-oxo-5-[4-(phenylmethyl)-1-piperidinyl]pentyl]thio]-4-quinazolinone IUPAC Name: 2-[5-(4-benzylpiperidin-1-yl)-5-oxopentyl]sulfanyl-3-(3-chlorophenyl)quinazolin-4-one Traditional Name: 2-[[5-(4-benzylpiperidino)-5-keto-pentyl]thio]-3-(3-chlorophenyl)quinazolin-4-one Formula: C31H32ClN3O2S MolecularWeight: 546.12268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCCSC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H32ClN3O2S/c32-25-11-8-12-26(22-25)35-30(37)27-13-4-5-14-28(27)33-31(35)38-20-7-6-15-29(36)34-18-16-24(17-19-34)21-23-9-2-1-3-10-23/h1-5,8-14,22,24H,6-7,15-21H2