N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Openeye Name: N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-3-(4-morpholinosulfonylphenyl)prop-2-enamide CAS Name: N-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide Traditional Name: 3-(4-morpholinosulfonylphenyl)-N-(piperonylthiocarbamoyl)acrylamide Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H23N3O6S2/c26-21(24-22(32)23-14-17-3-7-19-20(13-17)31-15-30-19)8-4-16-1-5-18(6-2-16)33(27,28)25-9-11-29-12-10-25/h1-8,13H,9-12,14-15H2,(H2,23,24,26,32)