3-methyl-N-[(6-nitroquinolin-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[(6-nitroquinolin-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[(6-nitro-5-quinolyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[(6-nitro-5-quinolinyl)amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[(6-nitroquinolin-5-yl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[(6-nitro-5-quinolyl)thiocarbamoyl]coumarilamide Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=C(C=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=C(C=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S/c1-11-12-5-2-3-7-16(12)28-18(11)19(25)23-20(29)22-17-13-6-4-10-21-14(13)8-9-15(17)24(26)27/h2-10H,1H3,(H2,22,23,25,29)