N-(2-methoxyethyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxyethyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(3-methoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(2-methoxyethyl)acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-[(3-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-[(3-methoxyphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H27N4O3S+ MolecularWeight: 367.48628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3S/c1-23-11-6-18-16(22)13-20-7-9-21(10-8-20)17(25)19-14-4-3-5-15(12-14)24-2/h3-5,12H,6-11,13H2,1-2H3,(H,18,22)(H,19,25)/p+1