N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethylsulfanyl)benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethylsulfanyl)benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-4-(3-pyridylmethylsulfanyl)benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-4-(3-pyridinylmethylthio)benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-4-(pyridin-3-ylmethylsulfanyl)benzamide Traditional Name: N-(4-methyl-5-piperonyl-thiazol-2-yl)-4-(3-pyridylmethylthio)benzamide Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)SCC3=CN=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)SCC3=CN=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O3S2/c1-16-23(12-17-4-9-21-22(11-17)31-15-30-21)33-25(27-16)28-24(29)19-5-7-20(8-6-19)32-14-18-3-2-10-26-13-18/h2-11,13H,12,14-15H2,1H3,(H,27,28,29)