3-bromanyl-4-hexoxy-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C25H31BrN4O4S MolecularWeight: 563.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C)Br

InChI

InChI=1S/C25H31BrN4O4S/c1-4-5-6-7-14-34-21-13-10-18(15-20(21)26)23(32)28-25(35)30-29-24(33)17-8-11-19(12-9-17)27-22(31)16(2)3/h8-13,15-16H,4-7,14H2,1-3H3,(H,27,31)(H,29,33)(H2,28,30,32,35)