N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: 3-benzylsulfanyl-N-(4-chloro-2,5-dimethoxy-phenyl)propanamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-3-(phenylmethylthio)propanamide IUPAC Name: 3-benzylsulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)propanamide Traditional Name: 3-(benzylthio)-N-(4-chloro-2,5-dimethoxy-phenyl)propionamide Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCSCC2=CC=CC=C2)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCSCC2=CC=CC=C2)OC)Cl

InChI

InChI=1S/C18H20ClNO3S/c1-22-16-11-15(17(23-2)10-14(16)19)20-18(21)8-9-24-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)