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

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-(mesitylthiocarbamoyl)benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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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)OCC(C)C)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O2S/c1-12(2)11-26-18-7-6-16(10-17(18)22)20(25)24-21(27)23-19-14(4)8-13(3)9-15(19)5/h6-10,12H,11H2,1-5H3,(H2,23,24,25,27)