N-[(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[2,5-dimethoxy-4-(1-pyrrolidinyl)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2,5-dimethoxy-4-pyrrolidino-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC)N4CCCC4

InChI

InChI=1S/C22H22N4O5S/c1-30-18-12-17(25-7-3-4-8-25)19(31-2)10-15(18)13-23-24-22(27)21-11-14-9-16(26(28)29)5-6-20(14)32-21/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,24,27)