1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(phenylthio)-1-propanone IUPAC Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-3-(phenylthio)propan-1-one Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS2/c1-2-17-8-9-19-20(16-17)28-22(23-19)25-13-11-24(12-14-25)21(26)10-15-27-18-6-4-3-5-7-18/h3-9,16H,2,10-15H2,1H3