5-(3-imidazol-1-ylpropylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide

Systemtic Name: 5-(3-imidazol-1-ylpropylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide Openeye Name: 5-(3-imidazol-1-ylpropylcarbamoylamino)-3-(3-pyridylmethoxy)isothiazole-4-carboxamide CAS Name: 5-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-3-(3-pyridinylmethoxy)-4-isothiazolecarboxamide IUPAC Name: 5-(3-imidazol-1-ylpropylcarbamoylamino)-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide Traditional Name: 5-(3-imidazol-1-ylpropylcarbamoylamino)-3-(3-pyridylmethoxy)isothiazole-4-carboxamide Formula: C17H19N7O3S MolecularWeight: 401.44286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)COC2=NSC(=C2C(=O)N)NC(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC(=CN=C1)COC2=NSC(=C2C(=O)N)NC(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C17H19N7O3S/c18-14(25)13-15(27-10-12-3-1-4-19-9-12)23-28-16(13)22-17(26)21-5-2-7-24-8-6-20-11-24/h1,3-4,6,8-9,11H,2,5,7,10H2,(H2,18,25)(H2,21,22,26)