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

Systemtic Name: N-[(3-acetamidophenyl)methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[(3-acetamidophenyl)methyl]-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[(3-acetamidophenyl)methyl]-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[(3-acetamidophenyl)methyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(3-acetamidobenzyl)-2-[(3,4-dimethylphenyl)thio]nicotinamide Formula: C23H23N3O2S MolecularWeight: 405.51262

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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(=CC=C3)NC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2S/c1-15-9-10-20(12-16(15)2)29-23-21(8-5-11-24-23)22(28)25-14-18-6-4-7-19(13-18)26-17(3)27/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)