decyl 2-[1-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C28H43N3O5S/c1-4-5-6-7-8-9-10-11-17-35-25(32)19-24-27(34)29-15-16-31(24)28(37)30-26(33)22-13-12-14-23(18-22)36-20-21(2)3/h12-14,18,21,24H,4-11,15-17,19-20H2,1-3H3,(H,29,34)(H,30,33,37)