3-[(4-ethoxycarbonylphenyl)carbamothioylamino]propyl-diethyl-azanium

Systemtic Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]propyl-diethyl-azanium Openeye Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]propyl-diethyl-ammonium CAS Name: 3-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]propyl-diethylammonium IUPAC Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]propyl-diethylazanium Traditional Name: 3-[(4-carbethoxyphenyl)thiocarbamoylamino]propyl-diethyl-ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CCCNC(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C17H27N3O2S/c1-4-20(5-2)13-7-12-18-17(23)19-15-10-8-14(9-11-15)16(21)22-6-3/h8-11H,4-7,12-13H2,1-3H3,(H2,18,19,23)/p+1