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

Systemtic Name: N-(4-methylsulfanylphenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-[4-(methylthio)phenyl]-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-[4-(methylthio)phenyl]piperazine-1-carboxamide Formula: C21H23N5OS2 MolecularWeight: 425.57022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS2/c1-28-18-9-7-17(8-10-18)22-20(27)25-11-13-26(14-12-25)21-23-19(24-29-21)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,22,27)