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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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