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

Systemtic Name: propan-2-yl 2-[(2S)-1-[(4-chlorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-1-[(4-chlorobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-1-[(4-chlorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(4-chlorobenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O4S/c1-10(2)25-14(22)9-13-16(24)19-7-8-21(13)17(26)20-15(23)11-3-5-12(18)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,19,24)(H,20,23,26)/t13-/m0/s1