N-[2-chloranyl-4-[3-(4-methoxyoxan-2-yl)phenyl]sulfanyl-phenyl]-N-methyl-benzamide

Systemtic Name: N-[2-chloranyl-4-[3-(4-methoxyoxan-2-yl)phenyl]sulfanyl-phenyl]-N-methyl-benzamide Openeye Name: N-[2-chloro-4-[3-(4-methoxytetrahydropyran-2-yl)phenyl]sulfanyl-phenyl]-N-methyl-benzamide CAS Name: N-[2-chloro-4-[[3-(4-methoxy-2-oxanyl)phenyl]thio]phenyl]-N-methylbenzamide IUPAC Name: N-[2-chloro-4-[3-(4-methoxyoxan-2-yl)phenyl]sulfanylphenyl]-N-methylbenzamide Traditional Name: N-[2-chloro-4-[[3-(4-methoxytetrahydropyran-2-yl)phenyl]thio]phenyl]-N-methyl-benzamide Formula: C26H26ClNO3S MolecularWeight: 468.00754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)SC2=CC=CC(=C2)C3CC(CCO3)OC)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C1=C(C=C(C=C1)SC2=CC=CC(=C2)C3CC(CCO3)OC)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26ClNO3S/c1-28(26(29)18-7-4-3-5-8-18)24-12-11-22(17-23(24)27)32-21-10-6-9-19(15-21)25-16-20(30-2)13-14-31-25/h3-12,15,17,20,25H,13-14,16H2,1-2H3