2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-2-14-28-24(30)21-10-6-7-11-22(21)26-25(28)31-18-23(29)27-15-12-20(13-16-27)17-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3