N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4,7-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=C(C=CC(=C2SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

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