3-[(4-ethanoylphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethanoylphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-acetylphenyl)carbamothioyl-benzyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-acetylanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-acetylphenyl)carbamothioyl-benzylamino]propyl-dimethylazanium Traditional Name: 3-[(4-acetylphenyl)thiocarbamoyl-benzyl-amino]propyl-dimethyl-ammonium Formula: C21H28N3OS+ MolecularWeight: 370.53152

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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=CC=C2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C21H27N3OS/c1-17(25)19-10-12-20(13-11-19)22-21(26)24(15-7-14-23(2)3)16-18-8-5-4-6-9-18/h4-6,8-13H,7,14-16H2,1-3H3,(H,22,26)/p+1