N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(7-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(7-methyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-piperidinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(5-keto-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)nipecotamide Formula: C24H30N6O2S MolecularWeight: 466.599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCCCN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)NCCCN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H30N6O2S/c1-17-14-21(31)30-23(26-17)33-24(27-30)29-12-4-8-20(16-29)22(32)25-10-5-11-28-13-9-18-6-2-3-7-19(18)15-28/h2-3,6-7,14,20H,4-5,8-13,15-16H2,1H3,(H,25,32)