dimethyl-[2-[[(2S)-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(2S)-2-morpholin-4-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]carbothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]ethyl]ammonium CAS Name: dimethyl-[2-[[[(2S)-2-[4-morpholinyl(oxo)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]ethyl]azanium Traditional Name: dimethyl-[2-[[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazine-4-carbothioyl]amino]ethyl]ammonium Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)N3CCOCC3

Isomeric SMILES

C[NH+](C)CCNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)N3CCOCC3

InChI

InChI=1S/C18H26N4O3S/c1-20(2)8-7-19-18(26)22-13-16(17(23)21-9-11-24-12-10-21)25-15-6-4-3-5-14(15)22/h3-6,16H,7-13H2,1-2H3,(H,19,26)/p+1/t16-/m0/s1