4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-4-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide CAS Name: 4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]-N-[4-(methylthio)phenyl]piperazine-1-carboxamide Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C22H25N5OS2/c1-16-3-5-17(6-4-16)15-20-24-22(30-25-20)27-13-11-26(12-14-27)21(28)23-18-7-9-19(29-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,23,28)