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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(3-isopropoxypropyl)quinazolin-4-one CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-3-(3-isopropoxypropyl)quinazolin-4-one Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O3S/c1-21(2)34-18-8-15-31-27(33)24-11-6-7-12-25(24)29-28(31)35-20-26(32)30-16-13-23(14-17-30)19-22-9-4-3-5-10-22/h3-7,9-12,21,23H,8,13-20H2,1-2H3