N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-2-[(2,5-dimethylphenyl)thio]nicotinamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C25H25N3O2S/c1-16-8-9-17(2)22(13-16)31-25-21(7-4-12-26-25)24(30)27-15-18-5-3-6-20(14-18)28-23(29)19-10-11-19/h3-9,12-14,19H,10-11,15H2,1-2H3,(H,27,30)(H,28,29)