N-[(3-acetamido-2,4-dimethyl-phenyl)methyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[(3-acetamido-2,4-dimethyl-phenyl)methyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide Openeye Name: N-[(3-acetamido-2,4-dimethyl-phenyl)methyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide CAS Name: N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(1,3-benzoxazol-2-ylthio)acetamide IUPAC Name: N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide Traditional Name: N-(3-acetamido-2,4-dimethyl-benzyl)-2-(1,3-benzoxazol-2-ylthio)acetamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-12-8-9-15(13(2)19(12)22-14(3)24)10-21-18(25)11-27-20-23-16-6-4-5-7-17(16)26-20/h4-9H,10-11H2,1-3H3,(H,21,25)(H,22,24)