3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[[1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-1-methyl-2-(4-methylpiperidino)ethyl]thio]-3-veratryl-quinazolin-4-one Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H31N3O4S/c1-17-11-13-28(14-12-17)24(30)18(2)34-26-27-21-8-6-5-7-20(21)25(31)29(26)16-19-9-10-22(32-3)23(15-19)33-4/h5-10,15,17-18H,11-14,16H2,1-4H3