3-bromanyl-4-(3-methylbutoxy)-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C25H31BrN4O4S MolecularWeight: 563.50704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31BrN4O4S/c1-4-5-6-22(31)27-19-10-7-17(8-11-19)24(33)29-30-25(35)28-23(32)18-9-12-21(20(26)15-18)34-14-13-16(2)3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,27,31)(H,29,33)(H2,28,30,32,35)