N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c1-2-8-24(30)27-21-12-7-13-22(18-21)28-26(33)29-25(31)20-11-6-14-23(17-20)32-16-15-19-9-4-3-5-10-19/h3-7,9-14,17-18H,2,8,15-16H2,1H3,(H,27,30)(H2,28,29,31,33)