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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C(C)C)OC)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-5-29-17-9-6-13(10-15(17)22)20(27)25-21(30)23-14-7-8-16(18(11-14)28-4)24-19(26)12(2)3/h6-12H,5H2,1-4H3,(H,24,26)(H2,23,25,27,30)