cyclohexyl 4-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C27H34N2O6S/c1-4-32-22-16-19(17-23(33-5-2)24(22)34-6-3)25(30)29-27(36)28-20-14-12-18(13-15-20)26(31)35-21-10-8-7-9-11-21/h12-17,21H,4-11H2,1-3H3,(H2,28,29,30,36)