methyl 4-[(3-bromanyl-4-tert-butyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-bromanyl-4-tert-butyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-bromo-4-tert-butyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-bromo-4-tert-butylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-tert-butyl-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C20H21BrN2O3S/c1-20(2,3)15-10-7-13(11-16(15)21)17(24)23-19(27)22-14-8-5-12(6-9-14)18(25)26-4/h5-11H,1-4H3,(H2,22,23,24,27)