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

Systemtic Name: N-tert-butyl-2-[4-[[3-(4-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[3-(4-methoxyphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[3-(4-methoxyphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[3-(4-methoxyphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[3-(4-methoxyphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazino]acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C=CN(C2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C=CN(C2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H31N5O2S/c1-21(2,3)22-19(27)15-23-9-11-24(12-10-23)16-25-13-14-26(20(25)29)17-5-7-18(28-4)8-6-17/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,22,27)