cyclohexyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C21H20BrClN2O3S MolecularWeight: 495.8171

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C21H20BrClN2O3S/c22-14-8-11-18(23)17(12-14)19(26)25-21(29)24-15-9-6-13(7-10-15)20(27)28-16-4-2-1-3-5-16/h6-12,16H,1-5H2,(H2,24,25,26,29)