N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(phenoxymethyl)benzamide

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(phenoxymethyl)benzamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(phenoxymethyl)benzamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-(phenoxymethyl)benzamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-(phenoxymethyl)benzamide Traditional Name: N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-3-(phenoxymethyl)benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3S/c1-17(2)23(29)26-20-11-13-21(14-12-20)27-25(32)28-24(30)19-8-6-7-18(15-19)16-31-22-9-4-3-5-10-22/h3-15,17H,16H2,1-2H3,(H,26,29)(H2,27,28,30,32)