3-bromanyl-N-[(4-hexoxyphenyl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[(4-hexoxyphenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[(4-hexoxyphenyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[(4-hexoxyanilino)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[(4-hexoxyphenyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[(4-hexoxyphenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br

InChI

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