3-[(4-ethylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethylphenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-ethylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethylphenyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C19H28N3S2+ MolecularWeight: 362.57572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2

InChI

InChI=1S/C19H27N3S2/c1-4-16-8-10-17(11-9-16)20-19(23)22(13-6-12-21(2)3)15-18-7-5-14-24-18/h5,7-11,14H,4,6,12-13,15H2,1-3H3,(H,20,23)/p+1