3-bromanyl-N-[(butanoylamino)carbamothioyl]-4-butoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(butanoylamino)carbamothioyl]-4-butoxy-benzamide Openeye Name: 3-bromo-N-[(butanoylamino)carbamothioyl]-4-butoxy-benzamide CAS Name: 3-bromo-4-butoxy-N-[(1-oxobutylhydrazo)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[(butanoylamino)carbamothioyl]-4-butoxybenzamide Traditional Name: 3-bromo-4-butoxy-N-(butyramidothiocarbamoyl)benzamide Formula: C16H22BrN3O3S MolecularWeight: 416.33318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC)Br

InChI

InChI=1S/C16H22BrN3O3S/c1-3-5-9-23-13-8-7-11(10-12(13)17)15(22)18-16(24)20-19-14(21)6-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,19,21)(H2,18,20,22,24)