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

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

Isomeric SMILES

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

InChI

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