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

Systemtic Name: 2-methoxyethyl 2-[1-[(2,4-dichlorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 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-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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-methoxyethyl ester Formula: C17H19Cl2N3O5S MolecularWeight: 448.32086

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H19Cl2N3O5S/c1-26-6-7-27-14(23)9-13-16(25)20-4-5-22(13)17(28)21-15(24)11-3-2-10(18)8-12(11)19/h2-3,8,13H,4-7,9H2,1H3,(H,20,25)(H,21,24,28)