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

Systemtic Name: 3-bromanyl-N-[(2,3-dimethylphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[(2,3-dimethylphenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[(2,3-dimethylanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(2,3-dimethylphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(2,3-dimethylphenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C20H23BrN2O2S MolecularWeight: 435.37782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O2S/c1-12(2)11-25-18-9-8-15(10-16(18)21)19(24)23-20(26)22-17-7-5-6-13(3)14(17)4/h5-10,12H,11H2,1-4H3,(H2,22,23,24,26)