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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C29H33BrN2O3S MolecularWeight: 569.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C29H33BrN2O3S/c1-2-3-4-8-19-35-27-18-13-23(21-26(27)30)28(33)32-29(36)31-24-14-16-25(17-15-24)34-20-9-12-22-10-6-5-7-11-22/h5-7,10-11,13-18,21H,2-4,8-9,12,19-20H2,1H3,(H2,31,32,33,36)