3-[[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-2-methoxycarbonyl-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2S)-2-carbomethoxy-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C16H23N3O3S/c1-18(2)10-6-9-17-16(23)19-11-14(15(20)21-3)22-13-8-5-4-7-12(13)19/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,17,23)/p+1/t14-/m0/s1