3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)propyl-dimethyl-azanium

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)propyl-dimethyl-azanium Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)propyl-dimethyl-ammonium CAS Name: 3-[[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamothioylamino)propyl-dimethylazanium Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthiocarbamoylamino)propyl-dimethyl-ammonium Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C15H23N3O2S/c1-18(2)8-3-7-16-15(21)17-12-5-6-13-14(11-12)20-10-4-9-19-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,16,17,21)/p+1