3-(1-pyridin-3-ylethoxy)-5-(pyridin-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxamide

Systemtic Name: 3-(1-pyridin-3-ylethoxy)-5-(pyridin-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxamide Openeye Name: 3-[1-(3-pyridyl)ethoxy]-5-(2-pyridylmethylcarbamoylamino)isothiazole-4-carboxamide CAS Name: 5-[[oxo-(2-pyridinylmethylamino)methyl]amino]-3-[1-(3-pyridinyl)ethoxy]-4-isothiazolecarboxamide IUPAC Name: 3-(1-pyridin-3-ylethoxy)-5-(pyridin-2-ylmethylcarbamoylamino)-1,2-thiazole-4-carboxamide Traditional Name: 3-[1-(3-pyridyl)ethoxy]-5-(2-pyridylmethylcarbamoylamino)isothiazole-4-carboxamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)OC2=NSC(=C2C(=O)N)NC(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC(C1=CN=CC=C1)OC2=NSC(=C2C(=O)N)NC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C18H18N6O3S/c1-11(12-5-4-7-20-9-12)27-16-14(15(19)25)17(28-24-16)23-18(26)22-10-13-6-2-3-8-21-13/h2-9,11H,10H2,1H3,(H2,19,25)(H2,22,23,26)