N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-(2-benzamidoethyl)-2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(2-benzamidoethyl)-2-[(2,5-dimethylphenyl)thio]nicotinamide Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(C=CC=N2)C(=O)NCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23N3O2S/c1-16-10-11-17(2)20(15-16)29-23-19(9-6-12-26-23)22(28)25-14-13-24-21(27)18-7-4-3-5-8-18/h3-12,15H,13-14H2,1-2H3,(H,24,27)(H,25,28)