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

Systemtic Name: 3-bromanyl-N-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C22H23BrClN3O3S MolecularWeight: 524.85832

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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)Cl)C(=O)NC3CCCCC3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrClN3O3S/c1-30-19-10-7-13(11-17(19)23)20(28)27-22(31)26-15-8-9-18(24)16(12-15)21(29)25-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,25,29)(H2,26,27,28,31)