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

Systemtic Name: N-[(2-methoxy-4-piperidin-1-yl-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-methoxy-4-(1-piperidyl)phenyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[2-methoxy-4-(1-piperidinyl)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2-methoxy-4-piperidino-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCCCC2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCCCC2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-30-19-13-17(25-9-3-2-4-10-25)6-5-15(19)14-23-24-22(27)21-12-16-11-18(26(28)29)7-8-20(16)31-21/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,27)