N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]acetamide CAS Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]acetamide Formula: C25H22Cl2N2O2S MolecularWeight: 485.42538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=O)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H22Cl2N2O2S/c1-3-15(2)16-5-11-23-22(12-16)29-25(31-23)17-4-10-20(27)21(13-17)28-24(30)14-32-19-8-6-18(26)7-9-19/h4-13,15H,3,14H2,1-2H3,(H,28,30)