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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[4-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C25H25BrN2O3S MolecularWeight: 513.4466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H25BrN2O3S/c1-2-30-23-15-10-19(17-22(23)26)24(29)28-25(32)27-20-11-13-21(14-12-20)31-16-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-15,17H,2,6,9,16H2,1H3,(H2,27,28,29,32)