N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C22H13N3O4S2 MolecularWeight: 447.48632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-])S2

InChI

InChI=1S/C22H13N3O4S2/c26-17-7-5-13(11-15(17)22-24-16-3-1-2-4-19(16)31-22)23-21(27)20-10-12-9-14(25(28)29)6-8-18(12)30-20/h1-11,24H,(H,23,27)