N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-methylthiazol-4-yl)methylsulfanyl]benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-methyl-4-thiazolyl)methylthio]benzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-homopiperonyl-2-[(2-methylthiazol-4-yl)methylthio]benzamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O3S2/c1-14-23-16(11-27-14)12-28-20-5-3-2-4-17(20)21(24)22-9-8-15-6-7-18-19(10-15)26-13-25-18/h2-7,10-11H,8-9,12-13H2,1H3,(H,22,24)