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

Systemtic Name: 3-bromanyl-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[3-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C23H26BrN3O3S MolecularWeight: 504.43984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O3S/c1-2-30-20-12-11-16(14-19(20)24)22(29)27-23(31)26-18-10-6-7-15(13-18)21(28)25-17-8-4-3-5-9-17/h6-7,10-14,17H,2-5,8-9H2,1H3,(H,25,28)(H2,26,27,29,31)