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

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

Isomeric SMILES

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

InChI

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