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

Systemtic Name: N-cyclopropyl-2-[4-[(phenylmethyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzylcarbamothioyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[[(phenylmethyl)amino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(benzylcarbamothioyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(benzylthiocarbamoyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C17H24N4OS/c22-16(19-15-6-7-15)13-20-8-10-21(11-9-20)17(23)18-12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,18,23)(H,19,22)/p+1