N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[(4-methyl-2-thiazolyl)thio]methyl]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[(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=CC=C2C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

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