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

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-phenylpiperazin-1-yl)methyl]-N-(p-tolylmethyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-[(4-phenyl-1-piperazinyl)methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(4-methylbenzyl)-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:

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-17-7-9-18(10-8-17)15-23-21(28)22-25-24-20(29-22)16-26-11-13-27(14-12-26)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,23,28)