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

Systemtic Name: 2-phenoxyethyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C24H26ClN3O5S MolecularWeight: 503.99834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C24H26ClN3O5S/c25-19-9-5-4-6-17(19)10-11-21(29)27-24(34)28-13-12-26-23(31)20(28)16-22(30)33-15-14-32-18-7-2-1-3-8-18/h1-9,20H,10-16H2,(H,26,31)(H,27,29,34)