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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CS2)C

InChI

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