2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C20H20N2O3S2/c1-12-8-13(2)19-17(9-12)27-20(22-19)21-18(23)11-26-14-4-5-15-16(10-14)25-7-3-6-24-15/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,21,22,23)