2-[4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-[(2-chloranyl-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(2-chloro-4,6-dimethyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(2-chloro-4,6-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(2-chloro-4,6-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(2-chloro-4,6-dimethyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C19H30ClN4O2S+ MolecularWeight: 413.9851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN4O2S/c1-14-11-15(2)18(16(20)12-14)22-19(27)24-8-6-23(7-9-24)13-17(25)21-5-4-10-26-3/h11-12H,4-10,13H2,1-3H3,(H,21,25)(H,22,27)/p+1