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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-3-veratryl-quinazolin-4-one Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H29N3O4S/c1-17-7-6-12-27(14-17)23(29)16-33-25-26-20-9-5-4-8-19(20)24(30)28(25)15-18-10-11-21(31-2)22(13-18)32-3/h4-5,8-11,13,17H,6-7,12,14-16H2,1-3H3