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

Systemtic Name: propan-2-yl 2-[(2S)-1-[(2,4-dichlorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-1-[(2,4-dichlorobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[(2,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-1-[(2,4-dichlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(2,4-dichlorobenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C17H19Cl2N3O4S MolecularWeight: 432.32146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H19Cl2N3O4S/c1-9(2)26-14(23)8-13-16(25)20-5-6-22(13)17(27)21-15(24)11-4-3-10(18)7-12(11)19/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,20,25)(H,21,24,27)/t13-/m0/s1