5-bromanyl-2-butoxy-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C24H29BrN4O4S MolecularWeight: 549.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCCC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCCC

InChI

InChI=1S/C24H29BrN4O4S/c1-3-5-7-21(30)26-18-11-8-16(9-12-18)22(31)28-29-24(34)27-23(32)19-15-17(25)10-13-20(19)33-14-6-4-2/h8-13,15H,3-7,14H2,1-2H3,(H,26,30)(H,28,31)(H2,27,29,32,34)