N-(2,6-dimethylphenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[propylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(propylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(propylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4OS+ MolecularWeight: 349.51406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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