5-bromanyl-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[4-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-2-ethoxy-benzamide Formula: C23H26BrN3O3S MolecularWeight: 504.43984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O3S/c1-2-30-20-13-10-16(24)14-19(20)22(29)27-23(31)26-18-11-8-15(9-12-18)21(28)25-17-6-4-3-5-7-17/h8-14,17H,2-7H2,1H3,(H,25,28)(H2,26,27,29,31)