2-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)ethanamide Openeye Name: 2-[4-[(3-chloro-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide CAS Name: 2-[4-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: 2-[4-[(3-chloro-4-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Traditional Name: 2-[4-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(2-methoxyethyl)acetamide Formula: C17H26ClN4O2S+ MolecularWeight: 385.93194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4O2S/c1-13-3-4-14(11-15(13)18)20-17(25)22-8-6-21(7-9-22)12-16(23)19-5-10-24-2/h3-4,11H,5-10,12H2,1-2H3,(H,19,23)(H,20,25)/p+1