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

Systemtic Name: 2-[(4-chlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chlorophenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chlorophenyl)thiocarbamoyl-(2-thenyl)amino]ethyl-dimethyl-ammonium Formula: C16H21ClN3S2+ MolecularWeight: 354.94104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3S2/c1-19(2)9-10-20(12-15-4-3-11-22-15)16(21)18-14-7-5-13(17)6-8-14/h3-8,11H,9-10,12H2,1-2H3,(H,18,21)/p+1