3,4-dimethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,4-dimethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3,4-dimethoxy-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-4-5-9-19(25)22-15-7-6-8-16(13-15)23-21(29)24-20(26)14-10-11-17(27-2)18(12-14)28-3/h6-8,10-13H,4-5,9H2,1-3H3,(H,22,25)(H2,23,24,26,29)