cyclohexyl 2-[3-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[3-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3,4,5-trimethoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid cyclohexyl ester Formula: C23H31N3O7S MolecularWeight: 493.57314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

InChI

InChI=1S/C23H31N3O7S/c1-30-17-11-14(12-18(31-2)20(17)32-3)21(28)25-23(34)26-10-9-24-22(29)16(26)13-19(27)33-15-7-5-4-6-8-15/h11-12,15-16H,4-10,13H2,1-3H3,(H,24,29)(H,25,28,34)