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

Systemtic Name: 2,4-dimethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2,4-dimethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2,4-dimethoxy-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dimethoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2,4-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=C(C=C2)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-5-6-7-20(26)24-17-11-8-14(12-19(17)30-4)23-22(31)25-21(27)16-10-9-15(28-2)13-18(16)29-3/h8-13H,5-7H2,1-4H3,(H,24,26)(H2,23,25,27,31)