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

Systemtic Name: cyclohexyl 4-[(3-chloranyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3-chloro-4-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-chloro-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-chloro-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Cl

InChI

InChI=1S/C22H23ClN2O4S/c1-28-19-12-9-15(13-18(19)23)20(26)25-22(30)24-16-10-7-14(8-11-16)21(27)29-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H2,24,25,26,30)