3-(1,3-benzodioxol-5-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]prop-2-enamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]prop-2-enamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(p-tolylmethylsulfanyl)ethyl]prop-2-enamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-methylphenyl)methylthio]ethyl]-2-propenamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]prop-2-enamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-[(4-methylbenzyl)thio]ethyl]acrylamide Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C=CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO3S/c1-15-2-4-17(5-3-15)13-25-11-10-21-20(22)9-7-16-6-8-18-19(12-16)24-14-23-18/h2-9,12H,10-11,13-14H2,1H3,(H,21,22)