N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[4-(cyclopropanecarbonylamino)benzyl]-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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