5-bromanyl-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[(3-isopentyloxyphenyl)carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[(3-isoamoxyphenyl)thiocarbamoyl]-2-isopropoxy-benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

InChI

InChI=1S/C22H27BrN2O3S/c1-14(2)10-11-27-18-7-5-6-17(13-18)24-22(29)25-21(26)19-12-16(23)8-9-20(19)28-15(3)4/h5-9,12-15H,10-11H2,1-4H3,(H2,24,25,26,29)