N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC3=CC=CC=C3)C

InChI

InChI=1S/C26H27N3O3S/c1-3-24(30)27-21-13-9-14-22(18(21)2)28-26(33)29-25(31)20-12-7-8-15-23(20)32-17-16-19-10-5-4-6-11-19/h4-15H,3,16-17H2,1-2H3,(H,27,30)(H2,28,29,31,33)