3-(1,3-benzothiazol-2-yl)-N'-(4-methyl-2-nitro-phenyl)-2,4-bis(oxidanylidene)pentanediamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N'-(4-methyl-2-nitro-phenyl)-2,4-bis(oxidanylidene)pentanediamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N'-(4-methyl-2-nitro-phenyl)-2,4-dioxo-pentanediamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N'-(4-methyl-2-nitrophenyl)-2,4-dioxopentanediamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N'-(4-methyl-2-nitrophenyl)-2,4-dioxopentanediamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,4-diketo-N'-(4-methyl-2-nitro-phenyl)glutaramide Formula: C19H14N4O6S MolecularWeight: 426.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=CC=CC=C3S2)C(=O)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=CC=CC=C3S2)C(=O)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O6S/c1-9-6-7-10(12(8-9)23(28)29)21-18(27)16(25)14(15(24)17(20)26)19-22-11-4-2-3-5-13(11)30-19/h2-8,14H,1H3,(H2,20,26)(H,21,27)