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

Systemtic Name: dimethyl-[3-[[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]carbamothioylamino]propyl]azanium Traditional Name: 3-[[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H24N5O3S+ MolecularWeight: 366.45846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O3S/c1-20(2)9-5-8-17-16(25)19-18-14(22)10-21-12-6-3-4-7-13(12)24-11-15(21)23/h3-4,6-7H,5,8-11H2,1-2H3,(H,18,22)(H2,17,19,25)/p+1