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

Systemtic Name: N-[2-methyl-4-(pentanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-4-(pentanoylcarbamothioylamino)phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-(pentanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-(valerylthiocarbamoylamino)phenyl]coumarilamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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