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

Systemtic Name: 2-hexoxy-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C26H34N4O4S/c1-4-5-6-9-16-34-22-11-8-7-10-21(22)25(33)28-26(35)30-29-24(32)19-12-14-20(15-13-19)27-23(31)17-18(2)3/h7-8,10-15,18H,4-6,9,16-17H2,1-3H3,(H,27,31)(H,29,32)(H2,28,30,33,35)