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

Systemtic Name: N-[3-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Openeye Name: N-[3-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide CAS Name: N-[3-[4-(4-methyl-1-piperazinyl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide IUPAC Name: N-[3-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Traditional Name: N-[3-[4-(4-methylpiperazino)but-2-ynyl]-5-propyl-1,3,4-thiadiazol-2-ylidene]benzamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCN(CC3)C

Isomeric SMILES

CCCC1=NN(C(=NC(=O)C2=CC=CC=C2)S1)CC#CCN3CCN(CC3)C

InChI

InChI=1S/C21H27N5OS/c1-3-9-19-23-26(13-8-7-12-25-16-14-24(2)15-17-25)21(28-19)22-20(27)18-10-5-4-6-11-18/h4-6,10-11H,3,9,12-17H2,1-2H3