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

Systemtic Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(2-methyl-4-nitrophenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]coumarilamide Formula: C17H13N3O4S MolecularWeight: 355.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C17H13N3O4S/c1-10-8-12(20(22)23)6-7-13(10)18-17(25)19-16(21)15-9-11-4-2-3-5-14(11)24-15/h2-9H,1H3,(H2,18,19,21,25)