3-ethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-ethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC)OC

InChI

InChI=1S/C22H27N3O4S/c1-4-6-10-20(26)24-18-12-11-16(14-19(18)28-3)23-22(30)25-21(27)15-8-7-9-17(13-15)29-5-2/h7-9,11-14H,4-6,10H2,1-3H3,(H,24,26)(H2,23,25,27,30)