N-tert-butyl-2-[4-[[3-(3-methylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[[3-(3-methylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[3-(m-tolyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[3-(3-methylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[3-(3-methylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[3-(m-tolyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazino]acetamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN(C2=S)CN3CCN(CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN(C2=S)CN3CCN(CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N5OS/c1-17-6-5-7-18(14-17)26-13-12-25(20(26)28)16-24-10-8-23(9-11-24)15-19(27)22-21(2,3)4/h5-7,12-14H,8-11,15-16H2,1-4H3,(H,22,27)