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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

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