4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide

Systemtic Name: 4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide Openeye Name: 4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide CAS Name: 4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide IUPAC Name: 4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide Traditional Name: 4-[4-(1,3-benzothiazol-6-ylamino)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-ethyl-3,6-dihydro-2H-pyridine-1-carboxamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCC(=CC1)C2=CC3=C(C=CN=C3N2)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CCNC(=O)N1CCC(=CC1)C2=CC3=C(C=CN=C3N2)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C22H22N6OS/c1-2-23-22(29)28-9-6-14(7-10-28)19-12-16-17(5-8-24-21(16)27-19)26-15-3-4-18-20(11-15)30-13-25-18/h3-6,8,11-13H,2,7,9-10H2,1H3,(H,23,29)(H2,24,26,27)