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

Systemtic Name: cyclohexyl 4-[(4-bromophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(4-bromobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(4-bromobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-bromobenzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3S/c22-16-10-6-14(7-11-16)19(25)24-21(28)23-17-12-8-15(9-13-17)20(26)27-18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H2,23,24,25,28)