1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone

Systemtic Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone Openeye Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-isopropylsulfanylphenyl)ethanone CAS Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-[4-(propan-2-ylthio)phenyl]ethanone IUPAC Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone Traditional Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]-2-[4-(isopropylthio)phenyl]ethanone Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)SC(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=C(C=C4)SC(C)C

InChI

InChI=1S/C24H29N3O2S2/c1-4-29-19-7-10-21-22(16-19)31-24(25-21)27-13-11-26(12-14-27)23(28)15-18-5-8-20(9-6-18)30-17(2)3/h5-10,16-17H,4,11-15H2,1-3H3