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

Systemtic Name: 1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(p-tolylsulfanyl)propan-1-one CAS Name: 1-[4-(6-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(6-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(S3)C=C(C=C4)OC

Isomeric SMILES

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

InChI

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