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

Systemtic Name: 2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(4-methoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(4-methoxyphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C18H29N4O3S+ MolecularWeight: 381.51286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3S/c1-24-13-3-8-19-17(23)14-21-9-11-22(12-10-21)18(26)20-15-4-6-16(25-2)7-5-15/h4-7H,3,8-14H2,1-2H3,(H,19,23)(H,20,26)/p+1