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

Systemtic Name: 3-methoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2-naphthamide Formula: C23H20N4O3S2 MolecularWeight: 464.5599

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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=CC4=CC=CC=C4C=C3OC

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3OC

InChI

InChI=1S/C23H20N4O3S2/c1-3-20(28)26-23-25-17-9-8-15(12-19(17)32-23)24-22(31)27-21(29)16-10-13-6-4-5-7-14(13)11-18(16)30-2/h4-12H,3H2,1-2H3,(H,25,26,28)(H2,24,27,29,31)