3-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-azanium Openeye Name: 3-[(3-chloro-2-methyl-phenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-[(1-ethyl-3-indolyl)methyl]amino]propyl-diethylammonium IUPAC Name: 3-[(3-chloro-2-methylphenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethylazanium Traditional Name: 3-[(3-chloro-2-methyl-phenyl)thiocarbamoyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-ammonium Formula: C26H36ClN4S+ MolecularWeight: 472.10884

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35ClN4S/c1-5-29(6-2)16-11-17-31(26(32)28-24-14-10-13-23(27)20(24)4)19-21-18-30(7-3)25-15-9-8-12-22(21)25/h8-10,12-15,18H,5-7,11,16-17,19H2,1-4H3,(H,28,32)/p+1