3-[(3-chlorophenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[(3-chlorophenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-azanium Openeye Name: 3-[(3-chlorophenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(3-chloroanilino)-sulfanylidenemethyl]-[(1-ethyl-3-indolyl)methyl]amino]propyl-diethylammonium IUPAC Name: 3-[(3-chlorophenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethylazanium Traditional Name: 3-[(3-chlorophenyl)thiocarbamoyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-ammonium Formula: C25H34ClN4S+ MolecularWeight: 458.08226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN4S/c1-4-28(5-2)15-10-16-30(25(31)27-22-12-9-11-21(26)17-22)19-20-18-29(6-3)24-14-8-7-13-23(20)24/h7-9,11-14,17-18H,4-6,10,15-16,19H2,1-3H3,(H,27,31)/p+1