2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: N-(3-methoxypropyl)-2-[4-(p-anisylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H31N4O3S+ MolecularWeight: 395.53944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H30N4O3S/c1-25-13-3-8-20-18(24)15-22-9-11-23(12-10-22)19(27)21-14-16-4-6-17(26-2)7-5-16/h4-7H,3,8-15H2,1-2H3,(H,20,24)(H,21,27)/p+1