5-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(4-butyramidophenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br

InChI

InChI=1S/C20H22BrN3O3S/c1-4-5-17(25)22-14-6-8-15(9-7-14)23-20(28)24-19(26)16-11-13(21)10-12(2)18(16)27-3/h6-11H,4-5H2,1-3H3,(H,22,25)(H2,23,24,26,28)