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

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-thiazolyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]acetamide Traditional Name: N-benzyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-2-yl]acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CSC(=N3)CC(=O)NCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CSC(=N3)CC(=O)NCC4=CC=CC=C4)OC1

InChI

InChI=1S/C21H20N2O3S/c24-20(22-13-15-5-2-1-3-6-15)12-21-23-17(14-27-21)16-7-8-18-19(11-16)26-10-4-9-25-18/h1-3,5-8,11,14H,4,9-10,12-13H2,(H,22,24)