dimethyl-[2-[[[(2R)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]carbamothioylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[[(2R)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[[(2R)-2-(4-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[(2R)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]carbamothioylamino]ethyl]azanium Traditional Name: 2-[[[(2R)-2-(2-keto-4-methyl-chromen-7-yl)oxypropanoyl]amino]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NNC(=S)NCC[NH+](C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H](C)C(=O)NNC(=S)NCC[NH+](C)C

InChI

InChI=1S/C18H24N4O4S/c1-11-9-16(23)26-15-10-13(5-6-14(11)15)25-12(2)17(24)20-21-18(27)19-7-8-22(3)4/h5-6,9-10,12H,7-8H2,1-4H3,(H,20,24)(H2,19,21,27)/p+1/t12-/m1/s1