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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C)C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C)C)C)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-5-6-9-26-18-8-7-16(12-17(18)22)20(25)24-21(27)23-19-14(3)10-13(2)11-15(19)4/h7-8,10-12H,5-6,9H2,1-4H3,(H2,23,24,25,27)