3-bromanyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(2-ethyl-6-methylphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCC(C)C)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCC(C)C)Br)C

InChI

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