3-[(3,4-dimethylphenyl)carbamothioylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(3,4-dimethylphenyl)carbamothioylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(3,4-dimethylphenyl)carbamothioylamino]propyl]-methyl-ammonium CAS Name: 3-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(3,4-dimethylphenyl)carbamothioylamino]propyl]-methylazanium Traditional Name: benzyl-[3-[(3,4-dimethylphenyl)thiocarbamoylamino]propyl]-methyl-ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3S/c1-16-10-11-19(14-17(16)2)22-20(24)21-12-7-13-23(3)15-18-8-5-4-6-9-18/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H2,21,22,24)/p+1