[(1R)-2-[(3,5-dimethylphenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(3,5-dimethylphenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(3,5-dimethylphenyl)carbamothioylamino]-1-(2-furyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]-1-(2-furanyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(3,5-dimethylphenyl)carbamothioylamino]-1-(furan-2-yl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-[(3,5-dimethylphenyl)thiocarbamoylamino]-1-(2-furyl)ethyl]-dimethyl-ammonium Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NCC(C2=CC=CO2)[NH+](C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC[C@H](C2=CC=CO2)[NH+](C)C)C

InChI

InChI=1S/C17H23N3OS/c1-12-8-13(2)10-14(9-12)19-17(22)18-11-15(20(3)4)16-6-5-7-21-16/h5-10,15H,11H2,1-4H3,(H2,18,19,22)/p+1/t15-/m1/s1