3-bromanyl-4-butoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-(2-naphthyloxy)propanoylamino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-(2-naphthoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C25H26BrN3O4S MolecularWeight: 544.46064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C25H26BrN3O4S/c1-3-4-13-32-22-12-10-19(15-21(22)26)24(31)27-25(34)29-28-23(30)16(2)33-20-11-9-17-7-5-6-8-18(17)14-20/h5-12,14-16H,3-4,13H2,1-2H3,(H,28,30)(H2,27,29,31,34)