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

Systemtic Name: ethyl 2-[(2S)-1-[(3-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S)-1-[(3-ethoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-1-[(3-ethoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(3-ethoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OCC

InChI

InChI=1S/C18H23N3O5S/c1-3-25-13-7-5-6-12(10-13)16(23)20-18(27)21-9-8-19-17(24)14(21)11-15(22)26-4-2/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,19,24)(H,20,23,27)/t14-/m0/s1