N2,N5-bis(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)thiophene-2,5-dicarboxamide

Systemtic Name: N2,N5-bis(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)thiophene-2,5-dicarboxamide Openeye Name: N2,N5-bis(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)thiophene-2,5-dicarboxamide CAS Name: N2,N5-bis(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)thiophene-2,5-dicarboxamide IUPAC Name: 2-N,5-N-bis(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)thiophene-2,5-dicarboxamide Traditional Name: N,N'-bis(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)thiophene-2,5-dicarboxamide Formula: C22H14N6O8S3 MolecularWeight: 586.57696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(S3)C(=O)NC4=NC5=C(C=C(C=C5S4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(S3)C(=O)NC4=NC5=C(C=C(C=C5S4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H14N6O8S3/c1-35-11-5-9(27(31)32)7-15-17(11)23-21(38-15)25-19(29)13-3-4-14(37-13)20(30)26-22-24-18-12(36-2)6-10(28(33)34)8-16(18)39-22/h3-8H,1-2H3,(H,23,25,29)(H,24,26,30)