2-phenoxyethyl 2-[3-oxidanylidene-1-(thiophen-2-ylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: 2-phenoxyethyl 2-[3-oxidanylidene-1-(thiophen-2-ylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-[3-oxo-1-(thiophene-2-carbonylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(2-thenoylthiocarbamoyl)piperazin-2-yl]acetic acid 2-phenoxyethyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCOC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21N3O5S2/c24-17(28-11-10-27-14-5-2-1-3-6-14)13-15-18(25)21-8-9-23(15)20(29)22-19(26)16-7-4-12-30-16/h1-7,12,15H,8-11,13H2,(H,21,25)(H,22,26,29)