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

Systemtic Name: 3-bromanyl-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[2-(2-naphthyloxy)propanoylamino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[2-(2-naphthoxy)propanoylamino]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C29H26BrN3O4S MolecularWeight: 592.50344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)OCCC2=CC=CC=C2)Br)OC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)OCCC2=CC=CC=C2)Br)OC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C29H26BrN3O4S/c1-19(37-24-13-11-21-9-5-6-10-22(21)17-24)27(34)32-33-29(38)31-28(35)23-12-14-26(25(30)18-23)36-16-15-20-7-3-2-4-8-20/h2-14,17-19H,15-16H2,1H3,(H,32,34)(H2,31,33,35,38)