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

Systemtic Name: 2-[4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H26ClN4OS+ MolecularWeight: 381.94324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3)C

InChI

InChI=1S/C18H25ClN4OS/c1-12-9-13(2)17(15(19)10-12)21-18(25)23-7-5-22(6-8-23)11-16(24)20-14-3-4-14/h9-10,14H,3-8,11H2,1-2H3,(H,20,24)(H,21,25)/p+1