N-[(2-fluoranyl-4-piperidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2-fluoranyl-4-piperidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-fluoro-4-(1-piperidyl)phenyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[2-fluoro-4-(1-piperidinyl)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-fluoro-4-piperidin-1-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2-fluoro-4-piperidino-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H19FN4O3S MolecularWeight: 426.463963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H19FN4O3S/c22-18-12-16(25-8-2-1-3-9-25)5-4-14(18)13-23-24-21(27)20-11-15-10-17(26(28)29)6-7-19(15)30-20/h4-7,10-13H,1-3,8-9H2,(H,24,27)