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

Systemtic Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxycarbonylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(4-carbethoxyphenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2S/c1-4-20-14(19)12-6-8-13(9-7-12)17-15(21)16-10-5-11-18(2)3/h6-9H,4-5,10-11H2,1-3H3,(H2,16,17,21)/p+1