3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3,5-dimethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-1-methyl-ethyl]thio]-3-veratryl-quinazolin-4-one Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C27H33N3O4S/c1-17-12-18(2)15-29(14-17)25(31)19(3)35-27-28-22-9-7-6-8-21(22)26(32)30(27)16-20-10-11-23(33-4)24(13-20)34-5/h6-11,13,17-19H,12,14-16H2,1-5H3