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

Systemtic Name: 3,4-dimethoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,4-dimethoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-12(2)19(25)23-15-8-7-14(11-17(15)28-4)22-21(30)24-20(26)13-6-9-16(27-3)18(10-13)29-5/h6-12H,1-5H3,(H,23,25)(H2,22,24,26,30)