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

Systemtic Name: N-[3-[4-(3-methylpiperidin-1-yl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Openeye Name: N-[3-[4-(3-methyl-1-piperidyl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide CAS Name: N-[3-[4-(3-methyl-1-piperidinyl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide IUPAC Name: N-[3-[4-(3-methylpiperidin-1-yl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Traditional Name: N-[3-[4-(3-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#CCN3CCCC(C3)C

Isomeric SMILES

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCCC(C3)C

InChI

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