N-[3-(4-piperidin-1-ylbut-2-ynyl)-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide

Systemtic Name: N-[3-(4-piperidin-1-ylbut-2-ynyl)-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Openeye Name: N-[3-[4-(1-piperidyl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide CAS Name: N-[3-[4-(1-piperidinyl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide IUPAC Name: N-[3-(4-piperidin-1-ylbut-2-ynyl)-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Traditional Name: N-[3-(4-piperidinobut-2-ynyl)-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCCCC3

Isomeric SMILES

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCCCC3

InChI

InChI=1S/C21H26N4OS/c1-2-11-19-23-25(17-10-9-16-24-14-7-4-8-15-24)21(27-19)22-20(26)18-12-5-3-6-13-18/h3,5-6,12-13H,2,4,7-8,11,14-17H2,1H3