2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-phenylpiperazino)propan-1-one Formula: C19H27N5OS2 MolecularWeight: 405.58058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H27N5OS2/c1-14(2)13-20-18-21-22-19(27-18)26-15(3)17(25)24-11-9-23(10-12-24)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,20,21)