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

Systemtic Name: 2-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-methyl-benzamide Openeye Name: 2-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-methyl-benzamide CAS Name: 2-methoxy-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: 2-methoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC

InChI

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