N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-2-[(4-chlorophenyl)thio]acetamide Formula: C25H23ClN2O2S MolecularWeight: 450.98032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H23ClN2O2S/c1-25(2,3)17-6-4-16(5-7-17)24-28-21-13-10-19(14-22(21)30-24)27-23(29)15-31-20-11-8-18(26)9-12-20/h4-14H,15H2,1-3H3,(H,27,29)