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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]benzamide Formula: C18H14BrClN4O2S2 MolecularWeight: 497.81636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrClN4O2S2/c1-2-15(25)23-18-22-13-6-4-10(8-14(13)28-18)21-17(27)24-16(26)11-7-9(19)3-5-12(11)20/h3-8H,2H2,1H3,(H,22,23,25)(H2,21,24,26,27)