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

Systemtic Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(p-tolylsulfanyl)propan-1-one CAS Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazino]-3-(p-tolylthio)propan-1-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4S3)OC

InChI

InChI=1S/C22H25N3O2S2/c1-16-6-8-17(9-7-16)28-15-10-20(26)24-11-13-25(14-12-24)22-23-21-18(27-2)4-3-5-19(21)29-22/h3-9H,10-15H2,1-2H3