N-[(4,5-dimethyl-2-nitro-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(4,5-dimethyl-2-nitro-phenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(4,5-dimethyl-2-nitro-phenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[(4,5-dimethyl-2-nitroanilino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(4,5-dimethyl-2-nitrophenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(4,5-dimethyl-2-nitro-phenyl)thiocarbamoyl]coumarilamide Formula: C18H15N3O4S MolecularWeight: 369.3944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C18H15N3O4S/c1-10-7-13(14(21(23)24)8-11(10)2)19-18(26)20-17(22)16-9-12-5-3-4-6-15(12)25-16/h3-9H,1-2H3,(H2,19,20,22,26)