[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfanylphenyl)methanone

Systemtic Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfanylphenyl)methanone Openeye Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfanylphenyl)methanone CAS Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-[4-(ethylthio)phenyl]methanone IUPAC Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfanylphenyl)methanone Traditional Name: [4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]-[4-(ethylthio)phenyl]methanone Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)SCC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)SCC

InChI

InChI=1S/C22H25N3O2S2/c1-3-27-18-6-5-7-19-20(18)23-22(29-19)25-14-12-24(13-15-25)21(26)16-8-10-17(11-9-16)28-4-2/h5-11H,3-4,12-15H2,1-2H3