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

Systemtic Name: cyclohexyl 2-[1-[(2,4-dichlorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C20H23Cl2N3O4S MolecularWeight: 472.38532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H23Cl2N3O4S/c21-12-6-7-14(15(22)10-12)18(27)24-20(30)25-9-8-23-19(28)16(25)11-17(26)29-13-4-2-1-3-5-13/h6-7,10,13,16H,1-5,8-9,11H2,(H,23,28)(H,24,27,30)