dodecyl 2-[1-[(3-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: dodecyl 2-[1-[(3-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[1-[(3-ethoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[1-[(3-ethoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-ethoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid lauryl ester Formula: C28H43N3O5S MolecularWeight: 533.72312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCC

InChI

InChI=1S/C28H43N3O5S/c1-3-5-6-7-8-9-10-11-12-13-19-36-25(32)21-24-27(34)29-17-18-31(24)28(37)30-26(33)22-15-14-16-23(20-22)35-4-2/h14-16,20,24H,3-13,17-19,21H2,1-2H3,(H,29,34)(H,30,33,37)