2-(3,4-dimethylphenyl)sulfanyl-N-[4-(oxolan-2-ylcarbonylamino)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[4-(oxolan-2-ylcarbonylamino)phenyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[4-(tetrahydrofuran-2-carbonylamino)phenyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[4-[[oxo(2-oxolanyl)methyl]amino]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[4-(oxolane-2-carbonylamino)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[4-(tetrahydrofuran-2-carbonylamino)phenyl]nicotinamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)NC(=O)C4CCCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)NC(=O)C4CCCO4)C

InChI

InChI=1S/C25H25N3O3S/c1-16-7-12-20(15-17(16)2)32-25-21(5-3-13-26-25)23(29)27-18-8-10-19(11-9-18)28-24(30)22-6-4-14-31-22/h3,5,7-13,15,22H,4,6,14H2,1-2H3,(H,27,29)(H,28,30)