2-[cyclohexyl(2-phenylsulfanylethanoyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[cyclohexyl(2-phenylsulfanylethanoyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[cyclohexyl-(2-phenylsulfanylacetyl)amino]-N-(4,5-dimethylthiazol-2-yl)acetamide CAS Name: 2-[cyclohexyl-[1-oxo-2-(phenylthio)ethyl]amino]-N-(4,5-dimethyl-2-thiazolyl)acetamide IUPAC Name: 2-[cyclohexyl-(2-phenylsulfanylacetyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[cyclohexyl-[2-(phenylthio)acetyl]amino]-N-(4,5-dimethylthiazol-2-yl)acetamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CN(C2CCCCC2)C(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CN(C2CCCCC2)C(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O2S2/c1-15-16(2)28-21(22-15)23-19(25)13-24(17-9-5-3-6-10-17)20(26)14-27-18-11-7-4-8-12-18/h4,7-8,11-12,17H,3,5-6,9-10,13-14H2,1-2H3,(H,22,23,25)