N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-(4-cyclohexyl-1-piperazinyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(4-cyclohexylpiperazino)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H30N6OS MolecularWeight: 414.5675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=CC=C2N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=CC=C2N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C21H30N6OS/c1-25-16-22-24-21(25)29-15-20(28)23-18-9-5-6-10-19(18)27-13-11-26(12-14-27)17-7-3-2-4-8-17/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,23,28)