3-bromanyl-4-tert-butyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-tert-butyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-tert-butyl-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-tert-butyl-N-(mesitylthiocarbamoyl)benzamide Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br)C

InChI

InChI=1S/C21H25BrN2OS/c1-12-9-13(2)18(14(3)10-12)23-20(26)24-19(25)15-7-8-16(17(22)11-15)21(4,5)6/h7-11H,1-6H3,(H2,23,24,25,26)