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

Systemtic Name: 3-bromanyl-N-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C23H25BrClN3O3S MolecularWeight: 538.8849

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C23H25BrClN3O3S/c1-2-31-20-11-8-14(12-18(20)24)21(29)28-23(32)27-16-9-10-19(25)17(13-16)22(30)26-15-6-4-3-5-7-15/h8-13,15H,2-7H2,1H3,(H,26,30)(H2,27,28,29,32)