N-(3-acetamido-4-methoxy-phenyl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(3-acetamido-4-methoxy-phenyl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(3-acetamido-4-methoxy-phenyl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-(3-acetamido-4-methoxyphenyl)-2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(3-acetamido-4-methoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(3-acetamido-4-methoxy-phenyl)-2-[(2,5-dimethylphenyl)thio]nicotinamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c1-14-7-8-15(2)21(12-14)30-23-18(6-5-11-24-23)22(28)26-17-9-10-20(29-4)19(13-17)25-16(3)27/h5-13H,1-4H3,(H,25,27)(H,26,28)