3-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-azanium Openeye Name: 3-[(3-chloro-4-methyl-phenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-[(1-ethyl-3-indolyl)methyl]amino]propyl-diethylammonium IUPAC Name: 3-[(3-chloro-4-methylphenyl)carbamothioyl-[(1-ethylindol-3-yl)methyl]amino]propyl-diethylazanium Traditional Name: 3-[(3-chloro-4-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=CC(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

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