2-[4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C18H28ClN4OS+ MolecularWeight: 383.95912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C18H27ClN4OS/c1-4-5-20-16(24)12-22-6-8-23(9-7-22)18(25)21-17-14(3)10-13(2)11-15(17)19/h10-11H,4-9,12H2,1-3H3,(H,20,24)(H,21,25)/p+1