cyclohexyl 4-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3,5-dichloro-4-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3,5-dichloro-4-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,5-dichloro-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C22H22Cl2N2O4S MolecularWeight: 481.39208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Cl

InChI

InChI=1S/C22H22Cl2N2O4S/c1-29-19-17(23)11-14(12-18(19)24)20(27)26-22(31)25-15-9-7-13(8-10-15)21(28)30-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H2,25,26,27,31)