(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-bromophenyl)sulfanylethyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-bromophenyl)sulfanylethyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-bromophenyl)sulfanylethyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromophenyl)thio]ethyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-bromophenyl)sulfanylethyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[(4-bromophenyl)thio]ethyl]acrylamide Formula: C18H16BrNO3S MolecularWeight: 406.29354

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCCSC3=CC=C(C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrNO3S/c19-14-3-5-15(6-4-14)24-10-9-20-18(21)8-2-13-1-7-16-17(11-13)23-12-22-16/h1-8,11H,9-10,12H2,(H,20,21)/b8-2+