N-tert-butyl-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(m-tolylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(3-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(m-tolylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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