cyclohexyl 4-[(3-methoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(3-methoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-(m-anisoylthiocarbamoylamino)benzoic acid cyclohexyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-27-19-9-5-6-16(14-19)20(25)24-22(29)23-17-12-10-15(11-13-17)21(26)28-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8H2,1H3,(H2,23,24,25,29)