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

Systemtic Name: 3-bromanyl-N-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C24H27BrClN3O3S MolecularWeight: 552.91148

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C24H27BrClN3O3S/c1-2-12-32-21-11-8-15(13-19(21)25)22(30)29-24(33)28-17-9-10-20(26)18(14-17)23(31)27-16-6-4-3-5-7-16/h8-11,13-14,16H,2-7,12H2,1H3,(H,27,31)(H2,28,29,30,33)