5-bromanyl-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[[3-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]thiocarbamoyl]-2-isobutoxy-benzamide Formula: C25H32BrN3O3S MolecularWeight: 534.50888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrN3O3S/c1-5-12-29(13-6-2)24(31)18-8-7-9-20(14-18)27-25(33)28-23(30)21-15-19(26)10-11-22(21)32-16-17(3)4/h7-11,14-15,17H,5-6,12-13,16H2,1-4H3,(H2,27,28,30,33)