N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-5-nitro-benzothiophene-2-carboxamide Formula: C20H13N3O3S2 MolecularWeight: 407.46552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O3S2/c24-19(17-10-12-9-13(23(25)26)6-8-15(12)27-17)22-20-21-18-14-4-2-1-3-11(14)5-7-16(18)28-20/h1-4,6,8-10H,5,7H2,(H,21,22,24)