5-bromanyl-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H26BrN3O4S MolecularWeight: 556.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=CC=C3C(=O)NCCCO

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=CC=C3C(=O)NCCCO

InChI

InChI=1S/C26H26BrN3O4S/c27-19-11-12-23(34-16-13-18-7-2-1-3-8-18)21(17-19)25(33)30-26(35)29-22-10-5-4-9-20(22)24(32)28-14-6-15-31/h1-5,7-12,17,31H,6,13-16H2,(H,28,32)(H2,29,30,33,35)