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

Systemtic Name: N-cyclopropyl-2-[4-[(4-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(4-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(4-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(4-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(4-ethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H27N4OS+ MolecularWeight: 347.49818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C18H26N4OS/c1-2-14-3-5-16(6-4-14)20-18(24)22-11-9-21(10-12-22)13-17(23)19-15-7-8-15/h3-6,15H,2,7-13H2,1H3,(H,19,23)(H,20,24)/p+1