N-[3,5-bis(chloranyl)phenyl]-2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dichlorophenyl)-2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[anilino(sulfanylidene)methyl]-1-piperazin-1-iumyl]-N-(3,5-dichlorophenyl)acetamide IUPAC Name: N-(3,5-dichlorophenyl)-2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dichlorophenyl)-2-[4-(phenylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H21Cl2N4OS+ MolecularWeight: 424.36724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C19H20Cl2N4OS/c20-14-10-15(21)12-17(11-14)22-18(26)13-24-6-8-25(9-7-24)19(27)23-16-4-2-1-3-5-16/h1-5,10-12H,6-9,13H2,(H,22,26)(H,23,27)/p+1