3-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2-chloro-4,6-dimethylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C19H27ClN3S2+ MolecularWeight: 397.02078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3S2/c1-14-11-15(2)18(17(20)12-14)21-19(24)23(9-6-8-22(3)4)13-16-7-5-10-25-16/h5,7,10-12H,6,8-9,13H2,1-4H3,(H,21,24)/p+1