2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[[1-(4-chlorophenyl)-2-imidazolyl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[[1-(4-chlorophenyl)imidazol-2-yl]thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=CN3C4=CC=C(C=C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC=CN3C4=CC=C(C=C4)Cl)OC1

InChI

InChI=1S/C20H18ClN3O3S/c21-14-2-5-16(6-3-14)24-9-8-22-20(24)28-13-19(25)23-15-4-7-17-18(12-15)27-11-1-10-26-17/h2-9,12H,1,10-11,13H2,(H,23,25)