N-(3,4-dimethoxyphenyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-phenylsulfanyl-butanamide CAS Name: N-(3,4-dimethoxyphenyl)-4-(phenylthio)butanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-phenylsulfanylbutanamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(phenylthio)butyramide Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCSC2=CC=CC=C2)OC

InChI

InChI=1S/C18H21NO3S/c1-21-16-11-10-14(13-17(16)22-2)19-18(20)9-6-12-23-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,19,20)