dimethyl-[2-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]carbamothioylamino]ethyl]azanium Traditional Name: 2-[[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C15H22N5O3S+ MolecularWeight: 352.43188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)NNC(=O)CN1C(=O)COC2=CC=CC=C21

Isomeric SMILES

C[NH+](C)CCNC(=S)NNC(=O)CN1C(=O)COC2=CC=CC=C21

InChI

InChI=1S/C15H21N5O3S/c1-19(2)8-7-16-15(24)18-17-13(21)9-20-11-5-3-4-6-12(11)23-10-14(20)22/h3-6H,7-10H2,1-2H3,(H,17,21)(H2,16,18,24)/p+1