dimethyl-[3-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]carbamothioylamino]propyl]azanium Traditional Name: 3-[[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C15H23N4O2S+ MolecularWeight: 323.43372

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C15H22N4O2S/c1-10-14(20)18-12-9-11(5-6-13(12)21-10)17-15(22)16-7-4-8-19(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,20)(H2,16,17,22)/p+1/t10-/m0/s1