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

Systemtic Name: 2-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(3-chloro-4-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(3-chloro-4-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(3-chloro-4-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=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NCCCOC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN4O2S/c1-14-4-5-15(12-16(14)19)21-18(26)23-9-7-22(8-10-23)13-17(24)20-6-3-11-25-2/h4-5,12H,3,6-11,13H2,1-2H3,(H,20,24)(H,21,26)/p+1