[3-[(4-ethoxycarbonylphenyl)carbamothioylamino]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[(4-ethoxycarbonylphenyl)carbamothioylamino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[(4-ethoxycarbonylphenyl)carbamothioylamino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[(4-ethoxycarbonylphenyl)carbamothioylamino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[(4-carbethoxyphenyl)thiocarbamoylamino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S/c1-6-22-15(21)13-7-9-14(10-8-13)19-16(23)18-11-17(2,3)12-20(4)5/h7-10H,6,11-12H2,1-5H3,(H2,18,19,23)/p+1