3-(1,3-benzodioxol-5-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2-cyanophenyl)methylthio]ethyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(2-cyanobenzyl)thio]ethyl]propionamide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N2O3S/c21-12-16-3-1-2-4-17(16)13-26-10-9-22-20(23)8-6-15-5-7-18-19(11-15)25-14-24-18/h1-5,7,11H,6,8-10,13-14H2,(H,22,23)