3-[(2,4-dichlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2,4-dichlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(2,4-dichlorophenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2,4-dichloroanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(2,4-dichlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2,4-dichlorophenyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C17H22Cl2N3S2+ MolecularWeight: 403.41268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CS1)C(=S)NC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H21Cl2N3S2/c1-21(2)8-4-9-22(12-14-5-3-10-24-14)17(23)20-16-7-6-13(18)11-15(16)19/h3,5-7,10-11H,4,8-9,12H2,1-2H3,(H,20,23)/p+1