cyclohexyl 4-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(4-tert-butylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-tert-butylbenzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3S/c1-25(2,3)19-13-9-17(10-14-19)22(28)27-24(31)26-20-15-11-18(12-16-20)23(29)30-21-7-5-4-6-8-21/h9-16,21H,4-8H2,1-3H3,(H2,26,27,28,31)