2-methylpropyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-(2-chlorophenyl)propanoylthiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isobutyl ester Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H26ClN3O4S/c1-13(2)12-28-18(26)11-16-19(27)22-9-10-24(16)20(29)23-17(25)8-7-14-5-3-4-6-15(14)21/h3-6,13,16H,7-12H2,1-2H3,(H,22,27)(H,23,25,29)