(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-(1H-benzimidazol-2-ylthio)-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-(1H-benzimidazol-2-ylthio)-1-(4-ethylpiperazino)propan-1-one Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H22N4OS/c1-3-19-8-10-20(11-9-19)15(21)12(2)22-16-17-13-6-4-5-7-14(13)18-16/h4-7,12H,3,8-11H2,1-2H3,(H,17,18)/t12-/m0/s1