N-[2-(cyclohexen-1-yl)ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCCC3=CCCCC3

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C21H26N4O2S/c1-25-14-13-23-21(25)28-15-19(26)24-18-9-7-17(8-10-18)20(27)22-12-11-16-5-3-2-4-6-16/h5,7-10,13-14H,2-4,6,11-12,15H2,1H3,(H,22,27)(H,24,26)