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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(2-methylthiazol-4-yl)methylsulfanyl]benzamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(2-methyl-4-thiazolyl)methylthio]benzamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(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=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O3S2/c1-14-22-17(12-27-14)13-28-18-6-3-15(4-7-18)21(24)23-16-5-8-19-20(11-16)26-10-2-9-25-19/h3-8,11-12H,2,9-10,13H2,1H3,(H,23,24)