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

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[2-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[2-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H29BrN2O3S/c1-19(2)18-33-24-15-14-21(17-22(24)28)26(31)30-27(34)29-23-12-6-7-13-25(23)32-16-8-11-20-9-4-3-5-10-20/h3-7,9-10,12-15,17,19H,8,11,16,18H2,1-2H3,(H2,29,30,31,34)