2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-phenylthiazol-2-yl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-phenyl-2-thiazolyl)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-phenylthiazol-2-yl)propionamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)SC3=CC4=C(C=C3)OCCCO4

InChI

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