dimethyl-[3-[[[(2R)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[[(2R)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[[(2R)-2-(4-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[(2R)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]carbamothioylamino]propyl]azanium Traditional Name: 3-[[[(2R)-2-(2-keto-4-methyl-chromen-7-yl)oxypropanoyl]amino]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H27N4O4S+ MolecularWeight: 407.50708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S/c1-12-10-17(24)27-16-11-14(6-7-15(12)16)26-13(2)18(25)21-22-19(28)20-8-5-9-23(3)4/h6-7,10-11,13H,5,8-9H2,1-4H3,(H,21,25)(H2,20,22,28)/p+1/t13-/m1/s1