N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S/c1-18(2)24(30)27-20-9-7-10-21(17-20)28-26(34)29-25(31)19-8-6-13-23(16-19)33-15-14-32-22-11-4-3-5-12-22/h3-13,16-18H,14-15H2,1-2H3,(H,27,30)(H2,28,29,31,34)