N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(thiazol-4-ylmethoxy)benzamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(thiazol-4-ylmethoxy)benzamide Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC=C(C=C3)OCC4=CSC=N4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)C3=CC=C(C=C3)OCC4=CSC=N4)Cl)OC1

InChI

InChI=1S/C21H19ClN2O4S/c22-18-8-14(9-19-20(18)27-7-1-6-26-19)10-23-21(25)15-2-4-17(5-3-15)28-11-16-12-29-13-24-16/h2-5,8-9,12-13H,1,6-7,10-11H2,(H,23,25)