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

Systemtic Name: N-[3-[4-(2-methylpiperidin-1-yl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Openeye Name: N-[3-[4-(2-methyl-1-piperidyl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide CAS Name: N-[3-[4-(2-methyl-1-piperidinyl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide IUPAC Name: N-[3-[4-(2-methylpiperidin-1-yl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Traditional Name: N-[3-[4-(2-methylpiperidino)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCCCC3C

Isomeric SMILES

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCCCC3C

InChI

InChI=1S/C22H28N4OS/c1-3-11-20-24-26(17-10-9-16-25-15-8-7-12-18(25)2)22(28-20)23-21(27)19-13-5-4-6-14-19/h4-6,13-14,18H,3,7-8,11-12,15-17H2,1-2H3