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

Systemtic Name: N-(3-methoxypropyl)-2-[4-[(phenylmethyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: N-(3-methoxypropyl)-2-[4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(benzylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-(benzylthiocarbamoyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2S/c1-24-13-5-8-19-17(23)15-21-9-11-22(12-10-21)18(25)20-14-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3,(H,19,23)(H,20,25)/p+1