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

Systemtic Name: 2-[(4-chlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-chlorophenyl)carbamothioyl-(2-thienylmethyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]-(thiophen-2-ylmethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-chlorophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-chlorophenyl)thiocarbamoyl-(2-thenyl)amino]ethyl-diethyl-ammonium Formula: C18H25ClN3S2+ MolecularWeight: 382.9942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClN3S2/c1-3-21(4-2)11-12-22(14-17-6-5-13-24-17)18(23)20-16-9-7-15(19)8-10-16/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,20,23)/p+1