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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C25H29N3O3S/c29-16-6-13-28-24(31)21-9-4-5-10-22(21)26-25(28)32-18-23(30)27-14-11-20(12-15-27)17-19-7-2-1-3-8-19/h1-5,7-10,20,29H,6,11-18H2