N-(5-chloranyl-2-methoxy-phenyl)-2-[(1-methylpyrrol-2-yl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(1-methylpyrrol-2-yl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(1-methylpyrrol-2-yl)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(1-methyl-2-pyrrolyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(1-methylpyrrol-2-yl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(1-methylpyrrol-2-yl)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CNC2=C(C3=C(S2)CCCC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CN1C=CC=C1CNC2=C(C3=C(S2)CCCC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C22H24ClN3O2S/c1-26-11-5-6-15(26)13-24-22-20(16-7-3-4-8-19(16)29-22)21(27)25-17-12-14(23)9-10-18(17)28-2/h5-6,9-12,24H,3-4,7-8,13H2,1-2H3,(H,25,27)