N-(4-ethylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-ethylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: N-(4-ethylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-ethylphenyl)-5-[(4-phenyl-1-piperazinyl)methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-ethylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(4-ethylphenyl)-5-[(4-phenylpiperazino)methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-2-17-8-10-18(11-9-17)23-21(28)22-25-24-20(29-22)16-26-12-14-27(15-13-26)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3,(H,23,28)