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

Systemtic Name: N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)CC)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)CC)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O3S2/c1-3-9-23-16-7-5-13(4-2)10-18(16)29-21(23)22-20(25)19-12-14-11-15(24(26)27)6-8-17(14)28-19/h5-8,10-12H,3-4,9H2,1-2H3