2,6-dimethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2,6-dimethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2,6-dimethoxy-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2,6-dimethoxy-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC)OC

InChI

InChI=1S/C22H27N3O5S/c1-5-6-10-19(26)24-15-12-11-14(13-18(15)30-4)23-22(31)25-21(27)20-16(28-2)8-7-9-17(20)29-3/h7-9,11-13H,5-6,10H2,1-4H3,(H,24,26)(H2,23,25,27,31)