3-[[1,3-benzodioxol-5-yl-[(2-prop-2-enoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1,3-benzodioxol-5-yl-[(2-prop-2-enoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(2-allyloxyphenyl)methyl-(1,3-benzodioxol-5-yl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[1,3-benzodioxol-5-yl-[(2-prop-2-enoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1,3-benzodioxol-5-yl-[(2-prop-2-enoxyphenyl)methyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2-allyloxybenzyl)-(1,3-benzodioxol-5-yl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N(CC1=CC=CC=C1OCC=C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](C)CCCNC(=S)N(CC1=CC=CC=C1OCC=C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H29N3O3S/c1-4-14-27-20-9-6-5-8-18(20)16-26(23(30)24-12-7-13-25(2)3)19-10-11-21-22(15-19)29-17-28-21/h4-6,8-11,15H,1,7,12-14,16-17H2,2-3H3,(H,24,30)/p+1