N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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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)OCCOC3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3)C

InChI

InChI=1S/C26H27N3O4S/c1-3-24(30)28-23-17-20(13-12-18(23)2)27-26(34)29-25(31)19-8-7-11-22(16-19)33-15-14-32-21-9-5-4-6-10-21/h4-13,16-17H,3,14-15H2,1-2H3,(H,28,30)(H2,27,29,31,34)