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

Systemtic Name: N-[4-(hexanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-(hexanoylcarbamothioylamino)phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(hexanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(caproylthiocarbamoylamino)phenyl]coumarilamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-2-3-4-9-20(26)25-22(29)24-17-12-10-16(11-13-17)23-21(27)19-14-15-7-5-6-8-18(15)28-19/h5-8,10-14H,2-4,9H2,1H3,(H,23,27)(H2,24,25,26,29)