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

Systemtic Name: ethyl 2-[(2S)-3-oxidanylidene-1-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S)-1-[(4-isopropylbenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-3-oxo-1-[(4-propan-2-ylbenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(cumoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-4-26-16(23)11-15-18(25)20-9-10-22(15)19(27)21-17(24)14-7-5-13(6-8-14)12(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H,20,25)(H,21,24,27)/t15-/m0/s1