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

Systemtic Name: N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzothiophene-2-carboxamide Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S2/c1-3-8-22-15-6-4-12(2)9-17(15)28-20(22)21-19(24)18-11-13-10-14(23(25)26)5-7-16(13)27-18/h4-7,9-11H,3,8H2,1-2H3