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

Systemtic Name: 2-[4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Formula: C18H28ClN4O2S+ MolecularWeight: 399.95852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC[NH+](CC2)CC(=O)NCCOC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC[NH+](CC2)CC(=O)NCCOC)C

InChI

InChI=1S/C18H27ClN4O2S/c1-13-10-14(2)17(15(19)11-13)21-18(26)23-7-5-22(6-8-23)12-16(24)20-4-9-25-3/h10-11H,4-9,12H2,1-3H3,(H,20,24)(H,21,26)/p+1