3-azanyl-6-(4-azanylpiperidin-1-yl)-4-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-azanyl-6-(4-azanylpiperidin-1-yl)-4-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxamide Openeye Name: 3-amino-6-(4-amino-1-piperidyl)-4-(3-pyridylmethoxy)benzothiophene-2-carboxamide CAS Name: 3-amino-6-(4-amino-1-piperidinyl)-4-(3-pyridinylmethoxy)-1-benzothiophene-2-carboxamide IUPAC Name: 3-amino-6-(4-aminopiperidin-1-yl)-4-(pyridin-3-ylmethoxy)-1-benzothiophene-2-carboxamide Traditional Name: 3-amino-6-(4-aminopiperidino)-4-(3-pyridylmethoxy)benzothiophene-2-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=CC(=C3C(=C2)SC(=C3N)C(=O)N)OCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1N)C2=CC(=C3C(=C2)SC(=C3N)C(=O)N)OCC4=CN=CC=C4

InChI

InChI=1S/C20H23N5O2S/c21-13-3-6-25(7-4-13)14-8-15(27-11-12-2-1-5-24-10-12)17-16(9-14)28-19(18(17)22)20(23)26/h1-2,5,8-10,13H,3-4,6-7,11,21-22H2,(H2,23,26)