cyclohexyl 4-[(4-ethylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(4-ethylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(4-ethylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(4-ethylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-ethylbenzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C23H26N2O3S/c1-2-16-8-10-17(11-9-16)21(26)25-23(29)24-19-14-12-18(13-15-19)22(27)28-20-6-4-3-5-7-20/h8-15,20H,2-7H2,1H3,(H2,24,25,26,29)