N-(2-methylphenyl)-2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxidanylidene-butanamide

Systemtic Name: N-(2-methylphenyl)-2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxidanylidene-butanamide Openeye Name: 2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]-N-(o-tolyl)-3-oxo-butanamide CAS Name: N-(2-methylphenyl)-2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxobutanamide IUPAC Name: N-(2-methylphenyl)-2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxobutanamide Traditional Name: 2-acetyl-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)-N-(o-tolyl)acrylamide Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C(=O)C

InChI

InChI=1S/C19H16N4O4S/c1-11-5-3-4-6-15(11)20-18(25)14(12(2)24)10-22-17-9-13(23(26)27)7-8-16(17)21-19(22)28/h3-10H,1-2H3,(H,20,25)(H,21,28)