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

Systemtic Name: dimethyl-[3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]propyl]azanium Traditional Name: 3-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-11-9-15(20)21-14-10-12(5-6-13(11)14)18-16(22)17-7-4-8-19(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,22)/p+1