2-phenoxyethyl 2-[1-[(2,4-dichlorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[1-[(2,4-dichlorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[1-[(2,4-dichlorobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[1-[(2,4-dichlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2,4-dichlorobenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C22H21Cl2N3O5S MolecularWeight: 510.39024

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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)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O5S/c23-14-6-7-16(17(24)12-14)20(29)26-22(33)27-9-8-25-21(30)18(27)13-19(28)32-11-10-31-15-4-2-1-3-5-15/h1-7,12,18H,8-11,13H2,(H,25,30)(H,26,29,33)