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

Systemtic Name: N-[2-chloranyl-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanyl-phenyl]-N-methyl-propanamide Openeye Name: N-[2-chloro-4-[3-(4-methoxytetrahydropyran-4-yl)phenyl]sulfanyl-phenyl]-N-methyl-propanamide CAS Name: N-[2-chloro-4-[[3-(4-methoxy-4-oxanyl)phenyl]thio]phenyl]-N-methylpropanamide IUPAC Name: N-[2-chloro-4-[3-(4-methoxyoxan-4-yl)phenyl]sulfanylphenyl]-N-methylpropanamide Traditional Name: N-[2-chloro-4-[[3-(4-methoxytetrahydropyran-4-yl)phenyl]thio]phenyl]-N-methyl-propionamide Formula: C22H26ClNO3S MolecularWeight: 419.96474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C)C1=C(C=C(C=C1)SC2=CC=CC(=C2)C3(CCOCC3)OC)Cl

Isomeric SMILES

CCC(=O)N(C)C1=C(C=C(C=C1)SC2=CC=CC(=C2)C3(CCOCC3)OC)Cl

InChI

InChI=1S/C22H26ClNO3S/c1-4-21(25)24(2)20-9-8-18(15-19(20)23)28-17-7-5-6-16(14-17)22(26-3)10-12-27-13-11-22/h5-9,14-15H,4,10-13H2,1-3H3