2-(3,4-dimethylphenyl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)nicotinamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C

InChI

InChI=1S/C22H19N3O2S2/c1-13-6-8-16(11-14(13)2)28-21-17(5-4-10-23-21)20(26)25-22-24-18-9-7-15(27-3)12-19(18)29-22/h4-12H,1-3H3,(H,24,25,26)