5-bromanyl-2-(3-methylbutoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[(3-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[(3-propoxyphenyl)thiocarbamoyl]benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

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