N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-4-carboxamide Traditional Name: N-homoveratryl-1-(5-keto-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)isonipecotamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=O)N2C(=N1)SC(=N2)N3CCC(CC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H27N5O4S/c1-14-12-19(28)27-21(24-14)32-22(25-27)26-10-7-16(8-11-26)20(29)23-9-6-15-4-5-17(30-2)18(13-15)31-3/h4-5,12-13,16H,6-11H2,1-3H3,(H,23,29)