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

Systemtic Name: 2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(2-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(2-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(2-ethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C18H29N4OS+ MolecularWeight: 349.51406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NC(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CC[NH+](CC2)CC(=O)NC(C)C

InChI

InChI=1S/C18H28N4OS/c1-4-15-7-5-6-8-16(15)20-18(24)22-11-9-21(10-12-22)13-17(23)19-14(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,19,23)(H,20,24)/p+1