N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)butanediamide

Systemtic Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)butanediamide Openeye Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)butanediamide CAS Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)butanediamide IUPAC Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)butanediamide Traditional Name: N,N'-bis(6-nitro-1,3-benzothiazol-2-yl)succinamide Formula: C18H12N6O6S2 MolecularWeight: 472.45448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O6S2/c25-15(21-17-19-11-3-1-9(23(27)28)7-13(11)31-17)5-6-16(26)22-18-20-12-4-2-10(24(29)30)8-14(12)32-18/h1-4,7-8H,5-6H2,(H,19,21,25)(H,20,22,26)