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

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[(4-carbamoylphenyl)methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[(4-carbamoylphenyl)methyl]-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[(4-carbamoylphenyl)methyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(4-carbamoylbenzyl)-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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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)C(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-14-5-10-18(12-15(14)2)28-22-19(4-3-11-24-22)21(27)25-13-16-6-8-17(9-7-16)20(23)26/h3-12H,13H2,1-2H3,(H2,23,26)(H,25,27)