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

Systemtic Name: 4-ethyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-ethyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-ethyl-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-ethyl-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC

InChI

InChI=1S/C21H25N3O3S/c1-5-14-6-8-15(9-7-14)20(26)24-21(28)22-16-10-11-17(18(12-16)27-4)23-19(25)13(2)3/h6-13H,5H2,1-4H3,(H,23,25)(H2,22,24,26,28)