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

Systemtic Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]-1-naphthamide Formula: C22H18N4O2S2 MolecularWeight: 434.53392

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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=CC=CC=C43

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18N4O2S2/c1-2-19(27)25-22-24-17-11-10-14(12-18(17)30-22)23-21(29)26-20(28)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,2H2,1H3,(H,24,25,27)(H2,23,26,28,29)