N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]-4-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=C(C=C2)OCCC3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3)C

InChI

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