2-methoxyethyl 2-[1-[2-(2-methylphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[1-[2-(2-methylphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[[2-(o-tolyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[1-[[2-(2-methylphenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(o-tolyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC

InChI

InChI=1S/C19H25N3O5S/c1-13-5-3-4-6-14(13)11-16(23)21-19(28)22-8-7-20-18(25)15(22)12-17(24)27-10-9-26-2/h3-6,15H,7-12H2,1-2H3,(H,20,25)(H,21,23,28)