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

Systemtic Name: 5-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[(4-butyramidophenyl)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C23H28BrN3O3S/c1-4-5-21(28)25-17-7-9-18(10-8-17)26-23(31)27-22(29)19-14-16(24)6-11-20(19)30-13-12-15(2)3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,25,28)(H2,26,27,29,31)