(2S)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: (2S)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: (2S)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: (2S)-2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: (2S)-2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]-1-(4-ethylpiperazino)propan-1-one Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NC=CN2C3=CC=CC(=C3C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)SC2=NC=CN2C3=CC=CC(=C3C)C

InChI

InChI=1S/C20H28N4OS/c1-5-22-11-13-23(14-12-22)19(25)17(4)26-20-21-9-10-24(20)18-8-6-7-15(2)16(18)3/h6-10,17H,5,11-14H2,1-4H3/t17-/m0/s1