N-(2-ethylphenyl)-2-[4-(furan-2-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(furan-2-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(2-furylmethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(2-furanylmethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(furan-2-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(2-furfurylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C20H26N4O2S/c1-2-16-6-3-4-8-18(16)22-19(25)15-23-9-11-24(12-10-23)20(27)21-14-17-7-5-13-26-17/h3-8,13H,2,9-12,14-15H2,1H3,(H,21,27)(H,22,25)/p+1