3-[[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[[(E)-cinnamyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[[(E)-cinnamyl]-(2,3-dihydro-1,4-benzodioxin-6-yl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC=CC1=CC=CC=C1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(C/C=C/C1=CC=CC=C1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H29N3O2S/c1-25(2)14-7-13-24-23(29)26(15-6-10-19-8-4-3-5-9-19)20-11-12-21-22(18-20)28-17-16-27-21/h3-6,8-12,18H,7,13-17H2,1-2H3,(H,24,29)/p+1/b10-6+