N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]coumarilamide Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C20H18N4O3S2/c1-2-17(25)23-19(28)21-13-7-9-14(10-8-13)22-20(29)24-18(26)16-11-12-5-3-4-6-15(12)27-16/h3-11H,2H2,1H3,(H2,21,23,25,28)(H2,22,24,26,29)