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

Systemtic Name: 5-bromanyl-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[2-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C24H30BrN3O3S MolecularWeight: 520.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C24H30BrN3O3S/c1-4-5-13-26-22(29)18-8-6-7-9-20(18)27-24(32)28-23(30)19-15-17(25)10-11-21(19)31-14-12-16(2)3/h6-11,15-16H,4-5,12-14H2,1-3H3,(H,26,29)(H2,27,28,30,32)