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

Systemtic Name: 3-bromanyl-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[4-(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=C(C=C2)C(=O)NC3CCCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C22H24BrN3O3S/c1-29-19-12-9-15(13-18(19)23)21(28)26-22(30)25-17-10-7-14(8-11-17)20(27)24-16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,24,27)(H2,25,26,28,30)