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

Systemtic Name: ethyl 2-[(2S)-3-oxidanylidene-1-[(4-propoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5S/c1-3-11-27-14-7-5-13(6-8-14)17(24)21-19(28)22-10-9-20-18(25)15(22)12-16(23)26-4-2/h5-8,15H,3-4,9-12H2,1-2H3,(H,20,25)(H,21,24,28)/t15-/m0/s1