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

Systemtic Name: 3-[(2,4-dimethylphenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[(2,4-dimethylphenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2,4-dimethylanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[(2,4-dimethylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(2,4-dimethylphenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C21H29N3S/c1-17-11-12-20(18(2)15-17)22-21(25)24(14-8-13-23(3)4)16-19-9-6-5-7-10-19/h5-7,9-12,15H,8,13-14,16H2,1-4H3,(H,22,25)/p+1