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

Systemtic Name: 3-bromanyl-N-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C27H33BrClN3O3S MolecularWeight: 594.99122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C27H33BrClN3O3S/c1-2-3-4-8-15-35-24-14-11-18(16-22(24)28)25(33)32-27(36)31-20-12-13-23(29)21(17-20)26(34)30-19-9-6-5-7-10-19/h11-14,16-17,19H,2-10,15H2,1H3,(H,30,34)(H2,31,32,33,36)