3-bromanyl-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[2-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[2-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C22H24BrN3O3S/c1-29-19-12-11-14(13-17(19)23)20(27)26-22(30)25-18-10-6-5-9-16(18)21(28)24-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,24,28)(H2,25,26,27,30)