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

Systemtic Name: N-tert-butyl-2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-ethoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(p-phenetylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H31N4O2S+ MolecularWeight: 379.54004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C19H30N4O2S/c1-5-25-16-8-6-15(7-9-16)20-18(26)23-12-10-22(11-13-23)14-17(24)21-19(2,3)4/h6-9H,5,10-14H2,1-4H3,(H,20,26)(H,21,24)/p+1