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

Systemtic Name: N-(2-methoxyethyl)-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyethyl)-2-[4-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-(p-anisylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N4O3S+ MolecularWeight: 381.51286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3S/c1-24-12-7-19-17(23)14-21-8-10-22(11-9-21)18(26)20-13-15-3-5-16(25-2)6-4-15/h3-6H,7-14H2,1-2H3,(H,19,23)(H,20,26)/p+1