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

Systemtic Name: 3-[(4-ethanoylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-acetylphenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-acetylanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-acetylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-acetylphenyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C19H26N3OS2+ MolecularWeight: 376.55924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3OS2/c1-15(23)16-7-9-17(10-8-16)20-19(24)22(12-5-11-21(2)3)14-18-6-4-13-25-18/h4,6-10,13H,5,11-12,14H2,1-3H3,(H,20,24)/p+1