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

Systemtic Name: 3-bromanyl-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[(3-isopentyloxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(3-isoamoxyphenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C23H29BrN2O3S MolecularWeight: 493.45696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O3S/c1-15(2)10-11-28-19-7-5-6-18(13-19)25-23(30)26-22(27)17-8-9-21(20(24)12-17)29-14-16(3)4/h5-9,12-13,15-16H,10-11,14H2,1-4H3,(H2,25,26,27,30)