N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H19N3O5S2/c1-4-7-23-14-10-15(28-2)16(29-3)11-18(14)31-21(23)22-20(25)19-9-12-8-13(24(26)27)5-6-17(12)30-19/h5-6,8-11H,4,7H2,1-3H3