N-cyclopropyl-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(p-anisylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C18H26N4O2S/c1-24-16-6-2-14(3-7-16)12-19-18(25)22-10-8-21(9-11-22)13-17(23)20-15-4-5-15/h2-3,6-7,15H,4-5,8-13H2,1H3,(H,19,25)(H,20,23)/p+1