2-[(3,5-dimethylphenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(3,5-dimethylphenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(3,5-dimethylphenyl)carbamothioylamino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(3,5-dimethylphenyl)carbamothioylamino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(3,5-dimethylphenyl)thiocarbamoylamino]ethyl-diisopropyl-ammonium Formula: C17H30N3S+ MolecularWeight: 308.5052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3S/c1-12(2)20(13(3)4)8-7-18-17(21)19-16-10-14(5)9-15(6)11-16/h9-13H,7-8H2,1-6H3,(H2,18,19,21)/p+1