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

Systemtic Name: ethyl 2-[(2S)-1-[(2-methoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S)-1-[(2-methoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[(2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-1-[(2-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(o-anisoylthiocarbamoyl)piperazin-2-yl]acetic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C17H21N3O5S/c1-3-25-14(21)10-12-16(23)18-8-9-20(12)17(26)19-15(22)11-6-4-5-7-13(11)24-2/h4-7,12H,3,8-10H2,1-2H3,(H,18,23)(H,19,22,26)/t12-/m0/s1