N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-propan-2-ylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-propan-2-ylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-isopropylsulfanyl-N-[4-(tetrahydrofuran-2-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide CAS Name: N-[4-[[oxo-(2-oxolanylmethylamino)methyl]amino]phenyl]-2-(propan-2-ylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide Traditional Name: 2-(isopropylthio)-N-[4-(tetrahydrofurfurylcarbamoylamino)phenyl]nicotinamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC3CCCO3

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC3CCCO3

InChI

InChI=1S/C21H26N4O3S/c1-14(2)29-20-18(6-3-11-22-20)19(26)24-15-7-9-16(10-8-15)25-21(27)23-13-17-5-4-12-28-17/h3,6-11,14,17H,4-5,12-13H2,1-2H3,(H,24,26)(H2,23,25,27)