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

Systemtic Name: N-tert-butyl-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-methoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(4-methoxyphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H28N4O2S/c1-18(2,3)20-16(23)13-21-9-11-22(12-10-21)17(25)19-14-5-7-15(24-4)8-6-14/h5-8H,9-13H2,1-4H3,(H,19,25)(H,20,23)/p+1