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

Systemtic Name: N-[4-(butanoylcarbamothioylamino)-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-(butanoylcarbamothioylamino)-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(butanoylcarbamothioylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(butyrylthiocarbamoylamino)-2-methyl-phenyl]coumarilamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-3-6-19(25)24-21(28)22-15-9-10-16(13(2)11-15)23-20(26)18-12-14-7-4-5-8-17(14)27-18/h4-5,7-12H,3,6H2,1-2H3,(H,23,26)(H2,22,24,25,28)