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

Systemtic Name: 2-[4-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(3-chloro-2-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(3-chloro-2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C18H28ClN4O2S+ MolecularWeight: 399.95852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)CC(=O)NCCCOC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)CC(=O)NCCCOC

InChI

InChI=1S/C18H27ClN4O2S/c1-14-15(19)5-3-6-16(14)21-18(26)23-10-8-22(9-11-23)13-17(24)20-7-4-12-25-2/h3,5-6H,4,7-13H2,1-2H3,(H,20,24)(H,21,26)/p+1