5-bromanyl-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[2-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[2-(3-phenylpropoxy)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H27BrN2O3S/c1-2-16-31-23-15-14-20(27)18-21(23)25(30)29-26(33)28-22-12-6-7-13-24(22)32-17-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-15,18H,2,8,11,16-17H2,1H3,(H2,28,29,30,33)