3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H30N3O2S+ MolecularWeight: 352.5147

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C18H29N3O2S/c1-5-22-16-10-14-9-13(2)23-17(14)11-15(16)12-20-18(24)19-7-6-8-21(3)4/h10-11,13H,5-9,12H2,1-4H3,(H2,19,20,24)/p+1/t13-/m0/s1