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

Systemtic Name: 2-ethoxyethyl 2-[3-oxidanylidene-1-[(2-pentoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 2-[3-oxo-1-[(2-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(2-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[3-oxo-1-[(2-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(2-amoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-ethoxyethyl ester Formula: C23H33N3O6S MolecularWeight: 479.58962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOCC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOCC

InChI

InChI=1S/C23H33N3O6S/c1-3-5-8-13-31-19-10-7-6-9-17(19)21(28)25-23(33)26-12-11-24-22(29)18(26)16-20(27)32-15-14-30-4-2/h6-7,9-10,18H,3-5,8,11-16H2,1-2H3,(H,24,29)(H,25,28,33)