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

Systemtic Name: 5-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(4-butyramidophenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3S/c1-3-4-17(24)21-13-6-8-14(9-7-13)22-19(27)23-18(25)15-11-12(20)5-10-16(15)26-2/h5-11H,3-4H2,1-2H3,(H,21,24)(H2,22,23,25,27)