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

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]coumarilamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-12(2)18(24)21-14-7-9-15(10-8-14)22-20(27)23-19(25)17-11-13-5-3-4-6-16(13)26-17/h3-12H,1-2H3,(H,21,24)(H2,22,23,25,27)