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

Systemtic Name: 2-ethoxyethyl 2-[1-[(3-butoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-ethoxyethyl 2-[1-[(3-butoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[1-[(3-butoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-butoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid 2-ethoxyethyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOCC

InChI

InChI=1S/C22H31N3O6S/c1-3-5-11-30-17-8-6-7-16(14-17)20(27)24-22(32)25-10-9-23-21(28)18(25)15-19(26)31-13-12-29-4-2/h6-8,14,18H,3-5,9-13,15H2,1-2H3,(H,23,28)(H,24,27,32)