2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridine-3-carboxamide Openeye Name: N-[4-(isopropylcarbamoylamino)phenyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridine-3-carboxamide Traditional Name: N-[4-(isopropylcarbamoylamino)phenyl]-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)NC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)NC(=O)NC(C)C

InChI

InChI=1S/C21H23N5O3S/c1-13(2)23-21(28)25-16-8-6-15(7-9-16)24-19(27)18-5-4-10-22-20(18)30-12-17-11-14(3)29-26-17/h4-11,13H,12H2,1-3H3,(H,24,27)(H2,23,25,28)