2-(4-ethylsulfanylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethylsulfanylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-ethylsulfanylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-[4-(ethylthio)phenyl]-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethylsulfanylphenyl)-1-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-[4-(ethylthio)phenyl]-1-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C22H25N3O3S3 MolecularWeight: 475.6472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCSC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O3S3/c1-3-29-17-6-4-16(5-7-17)14-21(26)24-10-12-25(13-11-24)22-23-19-9-8-18(31(2,27)28)15-20(19)30-22/h4-9,15H,3,10-14H2,1-2H3