2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[(4-ethoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[(4-ethoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-(p-phenetylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26FN4O2S+ MolecularWeight: 417.520143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN4O2S/c1-2-28-19-8-6-17(7-9-19)24-21(29)26-12-10-25(11-13-26)15-20(27)23-18-5-3-4-16(22)14-18/h3-9,14H,2,10-13,15H2,1H3,(H,23,27)(H,24,29)/p+1