N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-[(4-fluorophenyl)methyl]-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-[(4-fluorophenyl)methyl]-5-oxo-thiomorpholine-3-carboxamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-[(4-fluorophenyl)methyl]-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-[(4-fluorophenyl)methyl]-5-oxothiomorpholine-3-carboxamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(4-fluorobenzyl)-5-keto-thiomorpholine-3-carboxamide Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3CSC(C(=O)N3)CC4=CC=C(C=C4)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3CSC(C(=O)N3)CC4=CC=C(C=C4)F)OC1

InChI

InChI=1S/C21H21FN2O4S/c22-14-4-2-13(3-5-14)10-19-21(26)24-16(12-29-19)20(25)23-15-6-7-17-18(11-15)28-9-1-8-27-17/h2-7,11,16,19H,1,8-10,12H2,(H,23,25)(H,24,26)