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

Systemtic Name: propan-2-yl 2-[(2S)-3-oxidanylidene-1-[(4-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-3-oxo-1-[(4-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-3-oxo-1-[(4-propoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[(4-propoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid isopropyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C

InChI

InChI=1S/C20H27N3O5S/c1-4-11-27-15-7-5-14(6-8-15)18(25)22-20(29)23-10-9-21-19(26)16(23)12-17(24)28-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,21,26)(H,22,25,29)/t16-/m0/s1