N-[3-(cyclopropylcarbonylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[3-(cyclopropylcarbonylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[3-(cyclopropanecarbonylamino)phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[3-[[cyclopropyl(oxo)methyl]amino]phenyl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[3-(cyclopropanecarbonylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C22H22N4O3S/c1-13-19(14(2)29-26-13)12-30-22-18(7-4-10-23-22)21(28)25-17-6-3-5-16(11-17)24-20(27)15-8-9-15/h3-7,10-11,15H,8-9,12H2,1-2H3,(H,24,27)(H,25,28)