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

Systemtic Name: 3-[(4-chlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chlorophenyl)carbamothioyl-(2-thienylmethyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-chloroanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-chlorophenyl)thiocarbamoyl-(2-thenyl)amino]propyl-dimethyl-ammonium Formula: C17H23ClN3S2+ MolecularWeight: 368.96762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3S2/c1-20(2)10-4-11-21(13-16-5-3-12-23-16)17(22)19-15-8-6-14(18)7-9-15/h3,5-9,12H,4,10-11,13H2,1-2H3,(H,19,22)/p+1