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

Systemtic Name: 2-ethoxyethyl 2-[1-[(2-methoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 2-[1-[(2-methoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[1-[(2-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(o-anisoylthiocarbamoyl)piperazin-2-yl]acetic acid 2-ethoxyethyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S/c1-3-27-10-11-28-16(23)12-14-18(25)20-8-9-22(14)19(29)21-17(24)13-6-4-5-7-15(13)26-2/h4-7,14H,3,8-12H2,1-2H3,(H,20,25)(H,21,24,29)