4-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]propanoylamino]benzamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3CCCCC3)C

InChI

InChI=1S/C21H28N4O2S/c1-13-14(2)25(18-7-5-4-6-8-18)21(23-13)28-15(3)20(27)24-17-11-9-16(10-12-17)19(22)26/h9-12,15,18H,4-8H2,1-3H3,(H2,22,26)(H,24,27)