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

Systemtic Name: N-[3-[4-(2,6-dimethylpiperidin-1-yl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Openeye Name: N-[3-[4-(2,6-dimethyl-1-piperidyl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide CAS Name: N-[3-[4-(2,6-dimethyl-1-piperidinyl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide IUPAC Name: N-[3-[4-(2,6-dimethylpiperidin-1-yl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Traditional Name: N-[3-[4-(2,6-dimethylpiperidino)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Formula: C23H30N4OS MolecularWeight: 410.5755

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3C(CCCC3C)C

Isomeric SMILES

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3C(CCCC3C)C

InChI

InChI=1S/C23H30N4OS/c1-4-11-21-25-27(17-9-8-16-26-18(2)12-10-13-19(26)3)23(29-21)24-22(28)20-14-6-5-7-15-20/h5-7,14-15,18-19H,4,10-13,16-17H2,1-3H3