N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-piperonyl-nicotinamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H20N2O3S/c1-14-5-7-17(10-15(14)2)28-22-18(4-3-9-23-22)21(25)24-12-16-6-8-19-20(11-16)27-13-26-19/h3-11H,12-13H2,1-2H3,(H,24,25)