2-ethoxyethyl 2-[3-oxidanylidene-1-[(4-pentoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 2-ethoxyethyl 2-[3-oxidanylidene-1-[(4-pentoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 2-[3-oxo-1-[(4-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[3-oxo-1-[(4-pentoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(4-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=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOCC

InChI

InChI=1S/C23H33N3O6S/c1-3-5-6-13-31-18-9-7-17(8-10-18)21(28)25-23(33)26-12-11-24-22(29)19(26)16-20(27)32-15-14-30-4-2/h7-10,19H,3-6,11-16H2,1-2H3,(H,24,29)(H,25,28,33)