cyclohexyl 4-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(3-propan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3-isopropoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-isopropoxybenzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C24H28N2O4S/c1-16(2)29-21-10-6-7-18(15-21)22(27)26-24(31)25-19-13-11-17(12-14-19)23(28)30-20-8-4-3-5-9-20/h6-7,10-16,20H,3-5,8-9H2,1-2H3,(H2,25,26,27,31)