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

Systemtic Name: N-[4-(hexanoylcarbamothioylamino)-2-methoxy-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-(hexanoylcarbamothioylamino)-2-methoxy-phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methoxy-4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(hexanoylcarbamothioylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(caproylthiocarbamoylamino)-2-methoxy-phenyl]coumarilamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-3-4-5-10-21(27)26-23(31)24-16-11-12-17(19(14-16)29-2)25-22(28)20-13-15-8-6-7-9-18(15)30-20/h6-9,11-14H,3-5,10H2,1-2H3,(H,25,28)(H2,24,26,27,31)