3-methyl-5-methylsulfanyl-4-(1,2-oxazol-3-yl)-N-(pyridin-4-ylmethylcarbamoyl)thiophene-2-carboxamide

Systemtic Name: 3-methyl-5-methylsulfanyl-4-(1,2-oxazol-3-yl)-N-(pyridin-4-ylmethylcarbamoyl)thiophene-2-carboxamide Openeye Name: 4-isoxazol-3-yl-3-methyl-5-methylsulfanyl-N-(4-pyridylmethylcarbamoyl)thiophene-2-carboxamide CAS Name: 4-(3-isoxazolyl)-3-methyl-5-(methylthio)-N-[oxo-(pyridin-4-ylmethylamino)methyl]-2-thiophenecarboxamide IUPAC Name: 3-methyl-5-methylsulfanyl-4-(1,2-oxazol-3-yl)-N-(pyridin-4-ylmethylcarbamoyl)thiophene-2-carboxamide Traditional Name: 4-isoxazol-3-yl-3-methyl-5-(methylthio)-N-(4-pyridylmethylcarbamoyl)thiophene-2-carboxamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NOC=C2)SC)C(=O)NC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC1=C(SC(=C1C2=NOC=C2)SC)C(=O)NC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C17H16N4O3S2/c1-10-13(12-5-8-24-21-12)16(25-2)26-14(10)15(22)20-17(23)19-9-11-3-6-18-7-4-11/h3-8H,9H2,1-2H3,(H2,19,20,22,23)