2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methyl-amino]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]-methyl-amino]-N-mesityl-acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)CSC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)CSC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C21H23N3O3S/c1-13-9-14(2)20(15(3)10-13)23-18(25)11-24(4)19(26)12-28-21-22-16-7-5-6-8-17(16)27-21/h5-10H,11-12H2,1-4H3,(H,23,25)