3-[(2,6-dimethylphenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[(2,6-dimethylphenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-azanium Openeye Name: 3-[(2,6-dimethylphenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(2,6-dimethylanilino)-sulfanylidenemethyl]-[(1-ethyl-3-indolyl)methyl]amino]propyl-diethylammonium IUPAC Name: 3-[(2,6-dimethylphenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethylazanium Traditional Name: 3-[(2,6-dimethylphenyl)thiocarbamoyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-ammonium Formula: C27H39N4S+ MolecularWeight: 451.69036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)CN(CCC[NH+](CC)CC)C(=S)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CN(CCC[NH+](CC)CC)C(=S)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C27H38N4S/c1-6-29(7-2)17-12-18-31(27(32)28-26-21(4)13-11-14-22(26)5)20-23-19-30(8-3)25-16-10-9-15-24(23)25/h9-11,13-16,19H,6-8,12,17-18,20H2,1-5H3,(H,28,32)/p+1