N-(2,3-dimethylphenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[propylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(propylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2C)C

Isomeric SMILES

CCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC(=C2C)C

InChI

InChI=1S/C18H28N4OS/c1-4-8-19-18(24)22-11-9-21(10-12-22)13-17(23)20-16-7-5-6-14(2)15(16)3/h5-7H,4,8-13H2,1-3H3,(H,19,24)(H,20,23)/p+1