1-[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(6-fluoranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(p-tolylsulfanyl)propan-1-one CAS Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazino]-3-(p-tolylthio)propan-1-one Formula: C21H22FN3OS2 MolecularWeight: 415.547283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C21H22FN3OS2/c1-15-2-5-17(6-3-15)27-13-8-20(26)24-9-11-25(12-10-24)21-23-18-7-4-16(22)14-19(18)28-21/h2-7,14H,8-13H2,1H3