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

Systemtic Name: 5-bromanyl-2-butoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H29BrN2O3S/c1-2-3-16-33-25-15-14-21(28)18-24(25)26(31)30-27(34)29-22-12-7-13-23(19-22)32-17-8-11-20-9-5-4-6-10-20/h4-7,9-10,12-15,18-19H,2-3,8,11,16-17H2,1H3,(H2,29,30,31,34)