N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)thio]propionamide Formula: C17H18FNO3S MolecularWeight: 335.393123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCSC2=CC=C(C=C2)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCSC2=CC=C(C=C2)F)OC

InChI

InChI=1S/C17H18FNO3S/c1-21-15-8-5-13(11-16(15)22-2)19-17(20)9-10-23-14-6-3-12(18)4-7-14/h3-8,11H,9-10H2,1-2H3,(H,19,20)