N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C27H34N4OS MolecularWeight: 462.65006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCCCN4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCCCN4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C27H34N4OS/c1-19-15-20(2)25-24(16-19)33-27(29-25)31-13-5-9-23(18-31)26(32)28-11-6-12-30-14-10-21-7-3-4-8-22(21)17-30/h3-4,7-8,15-16,23H,5-6,9-14,17-18H2,1-2H3,(H,28,32)