5-bromanyl-2-butoxy-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[4-(methylcarbamoyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[4-(methylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC

InChI

InChI=1S/C20H22BrN3O3S/c1-3-4-11-27-17-10-7-14(21)12-16(17)19(26)24-20(28)23-15-8-5-13(6-9-15)18(25)22-2/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)(H2,23,24,26,28)