5-bromanyl-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C22H19BrN4O2S2 MolecularWeight: 515.44586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

InChI

InChI=1S/C22H19BrN4O2S2/c1-2-19(28)26-21(30)24-13-9-11-14(12-10-13)25-22(31)27-20(29)17-7-3-6-16-15(17)5-4-8-18(16)23/h3-12H,2H2,1H3,(H2,24,26,28,30)(H2,25,27,29,31)