N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[3-(2-benzo[e][1,3]benzoxazolyl)phenyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-[(4-chlorophenyl)thio]acetamide Formula: C25H17ClN2O2S MolecularWeight: 444.93268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=O)CSC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=O)CSC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H17ClN2O2S/c26-18-9-11-20(12-10-18)31-15-23(29)27-19-6-3-5-17(14-19)25-28-24-21-7-2-1-4-16(21)8-13-22(24)30-25/h1-14H,15H2,(H,27,29)