5-bromanyl-N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-chloranyl-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: 5-bromo-N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-chloro-benzamide CAS Name: 5-bromo-2-chloro-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-chlorobenzamide Traditional Name: 5-bromo-N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2-chloro-benzamide Formula: C19H16BrClN4O2S2 MolecularWeight: 511.84294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl

InChI

InChI=1S/C19H16BrClN4O2S2/c1-2-3-16(26)24-19-23-14-7-5-11(9-15(14)29-19)22-18(28)25-17(27)12-8-10(20)4-6-13(12)21/h4-9H,2-3H2,1H3,(H,23,24,26)(H2,22,25,27,28)