2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one CAS Name: 2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]propan-1-one Formula: C17H22N4OS3 MolecularWeight: 394.57778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NN=C(S3)SC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=NN=C(S3)SC

InChI

InChI=1S/C17H22N4OS3/c1-13(24-17-19-18-16(23-2)25-17)15(22)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3