3-bromanyl-4-butoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-(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)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3)Br

InChI

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