1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one

Systemtic Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(phenylmethyl)sulfonyl-propan-1-one Openeye Name: 3-benzylsulfonyl-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-3-(phenylmethyl)sulfonyl-1-propanone IUPAC Name: 3-benzylsulfonyl-1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-benzylsulfonyl-1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]propan-1-one Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S3/c1-29-18-7-8-19-20(15-18)30-22(23-19)25-12-10-24(11-13-25)21(26)9-14-31(27,28)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3