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

Systemtic Name: N-(4-ethylphenyl)-5-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-benzylpiperazin-1-yl)methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-ethylphenyl)-5-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(4-benzylpiperazin-1-yl)methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(4-benzylpiperazino)methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-2-18-8-10-20(11-9-18)24-22(29)23-26-25-21(30-23)17-28-14-12-27(13-15-28)16-19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3,(H,24,29)