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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C24H23BrN2O3S MolecularWeight: 499.42002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C24H23BrN2O3S/c1-29-22-13-12-18(25)15-21(22)23(28)27-24(31)26-19-10-5-11-20(16-19)30-14-6-9-17-7-3-2-4-8-17/h2-5,7-8,10-13,15-16H,6,9,14H2,1H3,(H2,26,27,28,31)