N-[3-[4-(2,6-dimethylpiperidin-1-yl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide

Systemtic Name: N-[3-[4-(2,6-dimethylpiperidin-1-yl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide Openeye Name: N-[3-[4-(2,6-dimethyl-1-piperidyl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide CAS Name: N-[3-[4-(2,6-dimethyl-1-piperidinyl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide IUPAC Name: N-[3-[4-(2,6-dimethylpiperidin-1-yl)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide Traditional Name: N-[3-[4-(2,6-dimethylpiperidino)but-2-ynyl]-5-methyl-1,3,4-thiadiazol-2-ylidene]benzamide Formula: C21H26N4OS MolecularWeight: 382.52234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CC#CCN2C(=NC(=O)C3=CC=CC=C3)SC(=N2)C)C

Isomeric SMILES

CC1CCCC(N1CC#CCN2C(=NC(=O)C3=CC=CC=C3)SC(=N2)C)C

InChI

InChI=1S/C21H26N4OS/c1-16-10-9-11-17(2)24(16)14-7-8-15-25-21(27-18(3)23-25)22-20(26)19-12-5-4-6-13-19/h4-6,12-13,16-17H,9-11,14-15H2,1-3H3