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

Systemtic Name: N-[4-(hexanoylcarbamothioylamino)-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-(hexanoylcarbamothioylamino)-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(hexanoylcarbamothioylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(caproylthiocarbamoylamino)-2-methyl-phenyl]coumarilamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3S/c1-3-4-5-10-21(27)26-23(30)24-17-11-12-18(15(2)13-17)25-22(28)20-14-16-8-6-7-9-19(16)29-20/h6-9,11-14H,3-5,10H2,1-2H3,(H,25,28)(H2,24,26,27,30)