1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide

Systemtic Name: 1-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide Openeye Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexanecarboxamide CAS Name: 1-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)-1-cyclohexanecarboxamide IUPAC Name: 1-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methylamino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide Traditional Name: 1-[[2-(1,3-benzoxazol-2-ylthio)acetyl]-methyl-amino]-N-(2,6-dimethylphenyl)cyclohexanecarboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N(C)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2(CCCCC2)N(C)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

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