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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NCCC[NH+](C)CC2=CC=CC=C2

InChI

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