2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(p-tolyl)thiazol-2-yl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-(4-methylphenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-(p-tolyl)thiazol-2-yl]acetamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

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