cyclohexyl 4-[(3-bromophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(3-bromophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3-bromobenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3-bromobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3S/c22-16-6-4-5-15(13-16)19(25)24-21(28)23-17-11-9-14(10-12-17)20(26)27-18-7-2-1-3-8-18/h4-6,9-13,18H,1-3,7-8H2,(H2,23,24,25,28)