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

Systemtic Name: cyclohexyl 4-[(3-chloranyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3-chloro-4-ethoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3-chloro-4-ethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-chloro-4-ethoxy-benzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Cl

InChI

InChI=1S/C23H25ClN2O4S/c1-2-29-20-13-10-16(14-19(20)24)21(27)26-23(31)25-17-11-8-15(9-12-17)22(28)30-18-6-4-3-5-7-18/h8-14,18H,2-7H2,1H3,(H2,25,26,27,31)