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

Systemtic Name: 4-phenethyloxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-phenethyloxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 4-phenethyloxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-phenethyloxy-N-[(4-propionamidophenyl)thiocarbamoyl]benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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