N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C20H16N4O6S MolecularWeight: 440.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H16N4O6S/c1-11-6-7-15(24(28)29)18(12(11)2)21-20(31)22-19(25)17-9-8-16(30-17)13-4-3-5-14(10-13)23(26)27/h3-10H,1-2H3,(H2,21,22,25,31)