N-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(4-methoxyanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H24ClN4O2S+ MolecularWeight: 419.94816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4O2S/c1-27-16-8-6-15(7-9-16)22-20(28)25-12-10-24(11-13-25)14-19(26)23-18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H,22,28)(H,23,26)/p+1