2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-[(4-methylphenyl)methyl]amino]-N-cyclohexyl-ethanamide Openeye Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-(p-tolylmethyl)amino]-N-cyclohexyl-acetamide CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylacetamide IUPAC Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylacetamide Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]-(4-methylbenzyl)amino]-N-cyclohexyl-acetamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC(=O)NC2CCCCC2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC(=O)NC2CCCCC2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H29N3O3S/c1-18-11-13-19(14-12-18)15-28(16-23(29)26-20-7-3-2-4-8-20)24(30)17-32-25-27-21-9-5-6-10-22(21)31-25/h5-6,9-14,20H,2-4,7-8,15-17H2,1H3,(H,26,29)