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

Systemtic Name: 2-[4-[[3,5-bis(chloranyl)phenyl]carbamothioyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: N-cyclopropyl-2-[4-[(3,5-dichlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(3,5-dichloroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(3,5-dichlorophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(3,5-dichlorophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C16H21Cl2N4OS+ MolecularWeight: 388.33514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C16H20Cl2N4OS/c17-11-7-12(18)9-14(8-11)20-16(24)22-5-3-21(4-6-22)10-15(23)19-13-1-2-13/h7-9,13H,1-6,10H2,(H,19,23)(H,20,24)/p+1