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

Systemtic Name: 5-bromanyl-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]-1-naphthamide Formula: C22H17BrN4O2S2 MolecularWeight: 513.42998

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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=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C22H17BrN4O2S2/c1-2-19(28)26-22-25-17-10-9-12(11-18(17)31-22)24-21(30)27-20(29)15-7-3-6-14-13(15)5-4-8-16(14)23/h3-11H,2H2,1H3,(H,25,26,28)(H2,24,27,29,30)