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

Systemtic Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]coumarilamide Formula: C20H16N4O3S2 MolecularWeight: 424.49604

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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=C4O3

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H16N4O3S2/c1-2-17(25)23-20-22-13-8-7-12(10-16(13)29-20)21-19(28)24-18(26)15-9-11-5-3-4-6-14(11)27-15/h3-10H,2H2,1H3,(H,22,23,25)(H2,21,24,26,28)