3-[(2,5-dimethylphenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[(2,5-dimethylphenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-azanium Openeye Name: 3-[(2,5-dimethylphenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(2,5-dimethylanilino)-sulfanylidenemethyl]-[(1-ethyl-3-indolyl)methyl]amino]propyl-diethylammonium IUPAC Name: 3-[(2,5-dimethylphenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethylazanium Traditional Name: 3-[(2,5-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(=C3)C)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CN(CCC[NH+](CC)CC)C(=S)NC3=C(C=CC(=C3)C)C

InChI

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