N-(5-chloranyl-2-methoxy-phenyl)-2-[(E)-pyridin-4-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(E)-pyridin-4-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(E)-4-pyridylmethyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(E)-pyridin-4-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(E)-pyridin-4-ylmethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(E)-4-pyridylmethyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(SC3=C2CCCC3)N=CC4=CC=NC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(SC3=C2CCCC3)/N=C/C4=CC=NC=C4

InChI

InChI=1S/C22H20ClN3O2S/c1-28-18-7-6-15(23)12-17(18)26-21(27)20-16-4-2-3-5-19(16)29-22(20)25-13-14-8-10-24-11-9-14/h6-13H,2-5H2,1H3,(H,26,27)/b25-13+