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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)Br

InChI

InChI=1S/C25H31BrN4O4S/c1-15(2)11-12-34-21-10-7-18(14-20(21)26)23(32)28-25(35)30-29-24(33)17-5-8-19(9-6-17)27-22(31)13-16(3)4/h5-10,14-16H,11-13H2,1-4H3,(H,27,31)(H,29,33)(H2,28,30,32,35)