3-[[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H26N3O2S2+ MolecularWeight: 392.55864

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=CS1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=CS1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H25N3O2S2/c1-21(2)9-4-8-20-19(25)22(14-16-5-3-12-26-16)15-6-7-17-18(13-15)24-11-10-23-17/h3,5-7,12-13H,4,8-11,14H2,1-2H3,(H,20,25)/p+1